-ISIS-  08251614012D

 27 30  0  0  0  0  0  0  0  0999 V2000
    2.0583   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -1.5167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5292   -0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -0.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1708    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083    2.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -1.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375    1.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958    0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1208    1.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6333   -1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542   -2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8625    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8583    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  6  1  0  0  0  0
 10 13  2  0  0  0  0
 11  8  1  0  0  0  0
 12  4  1  0  0  0  0
 13 12  1  0  0  0  0
 14  2  1  0  0  0  0
 15 10  1  0  0  0  0
 16 11  2  0  0  0  0
 17  9  2  0  0  0  0
 18 14  2  0  0  0  0
 19 13  1  0  0  0  0
 20 24  1  0  0  0  0
 21 14  1  0  0  0  0
 22  5  1  0  0  0  0
 23  7  1  0  0  0  0
 24 19  2  0  0  0  0
 25 23  1  0  0  0  0
 26 20  1  0  0  0  0
 27 21  1  0  0  0  0
  7  5  2  0  0  0  0
 22 25  1  0  0  0  0
 10 11  1  0  0  0  0
 15 20  2  0  0  0  0
M  END
>  <ID> (STK911853)
STK911853

>  <Rotatable_Bonds> (STK911853)
3

>  <logP> (STK911853)
5.467

>  <PSA> (STK911853)
109.94

>  <H_Donors> (STK911853)
1

>  <H_Acceptors> (STK911853)
5

>  <Number_of_rings> (STK911853)
4

>  <NAME> (STK911853)
methyl 2-{[(6-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

>  <Mol_Weight> (STK911853)
383.42

>  <Mol_Formula> (STK911853)
C20H17NO5S

>  <Smiles> (STK911853)
COC(=O)c1c(NC(=O)c2cc(=O)c3c(o2)ccc(c3)C)sc2c1CCC2

$$$$