
 CID 135971436

 35 36  0  0  0  0  0  0  0  0999 V2000
    0.5446    0.0628    0.2882 C   0  0  0  0  0
    2.0480   -0.2456    0.3151 C   0  0  0  0  0
    2.4160   -0.9826   -0.9815 C   0  0  0  0  0
    2.9048    1.0426    0.4921 C   0  0  0  0  0
    2.5231    1.8760    1.7148 C   0  0  0  0  0
    2.1297    3.2146    1.5450 C   0  0  0  0  0
    1.7410    3.9895    2.6410 C   0  0  0  0  0
    1.7512    3.4368    3.9183 C   0  0  0  0  0
    2.1443    2.1156    4.1088 C   0  0  0  0  0
    2.5244    1.3362    3.0133 C   0  0  0  0  0
    1.2687    4.3885    5.2677 Cl  0  0  0  0  0
    4.4107    0.7196    0.4719 C   0  0  0  0  0
    5.1197    1.1210   -0.4478 O   0  0  0  0  0
    4.8205   -0.1477    1.4589 N   0  0  0  0  0
    5.9901   -0.0436    1.9767 C   0  0  0  0  0
    6.3511   -0.9326    2.9330 N   0  0  0  0  0
    7.5961   -0.8404    3.4816 C   0  0  0  0  0
    7.9997   -1.5834    4.3662 O   0  0  0  0  0
    8.4011    0.2672    2.8556 C   0  0  0  0  0
    7.2655    1.0992    1.7117 S   0  0  0  0  0
    0.2006    0.4767    1.2408 H   0  0  0  0  0
   -0.0344   -0.8495    0.1081 H   0  0  0  0  0
    0.3010    0.7788   -0.5040 H   0  0  0  0  0
    2.2328   -0.9345    1.1491 H   0  0  0  0  0
    2.2772   -0.3379   -1.8562 H   0  0  0  0  0
    1.7891   -1.8711   -1.1145 H   0  0  0  0  0
    3.4566   -1.3216   -0.9702 H   0  0  0  0  0
    2.7304    1.6666   -0.3972 H   0  0  0  0  0
    2.1094    3.6644    0.5536 H   0  0  0  0  0
    1.4283    5.0192    2.4893 H   0  0  0  0  0
    2.1513    1.6822    5.1056 H   0  0  0  0  0
    2.8123    0.3026    3.1833 H   0  0  0  0  0
    5.7113   -1.6485    3.2381 H   0  0  0  0  0
    8.7441    0.9633    3.6238 H   0  0  0  0  0
    9.2459   -0.1591    2.3087 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4 12  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  7  8  2  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 31  1  0  0  0
 10 32  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  2  0  0  0
 15 20  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 33  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  1  0  0  0
 19 34  1  0  0  0
 19 35  1  0  0  0
M  END

>  <Chemical Name>
CID 135971436

>  <PubChem CID>
135971436

>  <Formula>
C14H15ClN2O2S

>  <Molecular Weight>
310.796000

>  <IUPAC Name>
(2S)-2-(4-chlorophenyl)-3-methyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)butanamide

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)C(C1=CC=C(C=C1)Cl)C(=O)N=C2NC(=O)CS2

>  <Isomeric SMILES>
CC(C)[C@@H](C1=CC=C(C=C1)Cl)C(=O)N=C2NC(=O)CS2

>  <InChI Std. ID>
InChI=1S/C14H15ClN2O2S/c1-8(2)12(9-3-5-10(15)6-4-9)13(19)17-14-16-11(18)7-20-14/h3-6,8,12H,7H2,1-2H3,(H,16,17,18,19)/t12-/m0/s1

>  <InChI Key>
CKPQCSHEGWVPOJ-LBPRGKRZSA-N

