-ISIS-  04261722012D

 30 32  0  0  0  0  0  0  0  0999 V2000
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    2.1292   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2500    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9125   -1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3583   -2.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3375    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2792    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2792    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9 13  1  0  0  0  0
 10  2  2  0  0  0  0
 11  4  2  0  0  0  0
 12  7  1  0  0  0  0
 13 17  2  0  0  0  0
 14  8  2  0  0  0  0
 15  8  1  0  0  0  0
 16  9  2  0  0  0  0
 17 24  1  0  0  0  0
 18 23  2  0  0  0  0
 19 14  1  0  0  0  0
 20 12  1  0  0  0  0
 21 15  2  0  0  0  0
 22  9  1  0  0  0  0
 23 20  1  0  0  0  0
 24 20  2  0  0  0  0
 25 21  1  0  0  0  0
 26 14  1  0  0  0  0
 27 21  1  0  0  0  0
 28 22  1  0  0  0  0
 29 26  1  0  0  0  0
 30 27  1  0  0  0  0
  3  5  1  0  0  0  0
 18 13  1  0  0  0  0
 25 19  2  0  0  0  0
M  END
>  <ID> (STL503296)
STL503296

>  <Rotatable_Bonds> (STL503296)
6

>  <logP> (STL503296)
4.19

>  <PSA> (STL503296)
119.47

>  <H_Donors> (STL503296)
1

>  <H_Acceptors> (STL503296)
6

>  <Number_of_rings> (STL503296)
3

>  <Compound_Names> (STL503296)
methyl 4-({[(5E)-5-(2,5-dimethoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl}amino)benzoate

>  <Mol_Weight> (STL503296)
428.47

>  <Mol_Formula> (STL503296)
C21H20N2O6S

>  <Smiles> (STL503296)
COc1ccc(c(c1)/C=C\1/SC(=O)N(C1=O)CNc1ccc(cc1)C(=O)OC)OC

$$$$