-ISIS-  08091621332D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.6542    1.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    0.1542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    0.4167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    2.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208   -2.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -2.5000    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  2  2  0  0  0  0
  8  4  2  0  0  0  0
  9  6  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
  3  5  1  0  0  0  0
 11 15  2  0  0  0  0
M  END
>  <ID> (BBL000158)
BBL000158

>  <Rotatable_Bonds> (BBL000158)
2

>  <logP> (BBL000158)
1.16

>  <PSA> (BBL000158)
106.72

>  <H_Donors> (BBL000158)
2

>  <H_Acceptors> (BBL000158)
2

>  <Number_of_rings> (BBL000158)
2

>  <NAME> (BBL000158)
(5Z)-5-(3-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one

>  <Mol_Weight> (BBL000158)
237.30

>  <Mol_Formula> (BBL000158)
C10H7NO2S2

>  <Smiles> (BBL000158)
S=C1NC(=O)/C(=C/c2cccc(c2)O)/S1

>  <CAS_Number> (BBL000158)
37530-35-1

>  <Alternative_identifier> (BBL000158)
MFCD00022417

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