-ISIS-  04261722012D

 29 31  0  0  0  0  0  0  0  0999 V2000
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   -1.4208    1.3958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3708    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3667    2.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1833    2.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500   -2.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1708    0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1500   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1083    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1708    0.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792    1.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1708    0.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2042    2.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6833    1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9250    0.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1500    0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1458   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1458    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6417    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6417   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  9  1  0  0  0  0
  7  1  1  0  0  0  0
  8 17  1  0  0  0  0
  9 16  1  0  0  0  0
 10  6  2  0  0  0  0
 11 10  1  0  0  0  0
 12  4  1  0  0  0  0
 13  7  1  0  0  0  0
 14 12  1  0  0  0  0
 15  6  1  0  0  0  0
 16 21  1  0  0  0  0
 17 15  2  0  0  0  0
 18  9  2  0  0  0  0
 19 13  2  0  0  0  0
 20 14  2  0  0  0  0
 21 13  1  0  0  0  0
 22 14  1  0  0  0  0
 23 10  1  0  0  0  0
 24 11  1  0  0  0  0
 25 17  1  0  0  0  0
 26 22  1  0  0  0  0
 27 23  2  0  0  0  0
 28 26  1  0  0  0  0
 29 27  1  0  0  0  0
  5  4  2  0  0  0  0
 11  8  2  0  0  0  0
 24 29  2  0  0  0  0
M  END
>  <ID> (STL503142)
STL503142

>  <Rotatable_Bonds> (STL503142)
8

>  <logP> (STL503142)
3.098

>  <PSA> (STL503142)
148.61

>  <H_Donors> (STL503142)
1

>  <H_Acceptors> (STL503142)
5

>  <Number_of_rings> (STL503142)
3

>  <Compound_Names> (STL503142)
2-{[5-(2-ethoxy-2-oxoethyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl 2-methylquinoline-4-carboxylate

>  <Mol_Weight> (STL503142)
414.44

>  <Mol_Formula> (STL503142)
C19H18N4O5S

>  <Smiles> (STL503142)
CCOC(=O)Cc1nnc(s1)NC(=O)COC(=O)c1cc(C)nc2c1cccc2

$$$$