-ISIS-  08251614012D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -0.3083    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4375    1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3250    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8042   -0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0833    2.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    2.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3125    0.2208    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    3.6625   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -1.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0375   -0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1958   -1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3083   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9 10  2  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  2  0  0  0  0
 13  8  2  0  0  0  0
 14 11  2  0  0  0  0
 15  7  1  0  0  0  0
 16 14  1  0  0  0  0
 17  4  1  0  0  0  0
 18  5  1  0  0  0  0
 19 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 15  1  0  0  0  0
 22 11  1  0  0  0  0
 23 19  1  0  0  0  0
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 25 20  1  0  0  0  0
 26 17  1  0  0  0  0
 27 18  1  0  0  0  0
 28 22  2  0  0  0  0
 29 28  1  0  0  0  0
  4  5  2  0  0  0  0
 26 27  1  0  0  0  0
 24 29  2  0  0  0  0
M  END
>  <ID> (STK810353)
STK810353

>  <Rotatable_Bonds> (STK810353)
7

>  <logP> (STK810353)
6.224

>  <PSA> (STK810353)
95.67

>  <H_Donors> (STK810353)
2

>  <H_Acceptors> (STK810353)
3

>  <Number_of_rings> (STK810353)
3

>  <NAME> (STK810353)
2-{[(2E)-3-(2-chlorophenyl)prop-2-enoyl]amino}-N-(3-methoxypropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

>  <Mol_Weight> (STK810353)
432.97

>  <Mol_Formula> (STK810353)
C22H25ClN2O3S

>  <Smiles> (STK810353)
COCCCNC(=O)c1c(NC(=O)/C=C/c2ccccc2Cl)sc2c1CCCC2

$$$$