-ISIS-  08251614012D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.9208    0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0083    1.4708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0583   -0.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917    1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083   -1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5417   -1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    0.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4167   -0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2792   -1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5292   -2.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1833    1.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -1.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2792    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -1.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1375   -1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1375   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4875    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0000   -1.5458    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4917    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9958    1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4875    2.5458    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  1  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  2  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  2  0  0  0  0
 20 14  1  0  0  0  0
 21 22  2  0  0  0  0
 22 19  1  0  0  0  0
 23  5  1  0  0  0  0
 24 21  1  0  0  0  0
 25  7  1  0  0  0  0
 26 23  1  0  0  0  0
 27 25  1  0  0  0  0
  5  7  2  0  0  0  0
 27 26  1  0  0  0  0
 10 11  1  0  0  0  0
 15 21  1  0  0  0  0
M  END
>  <ID> (STK911888)
STK911888

>  <Rotatable_Bonds> (STK911888)
2

>  <logP> (STK911888)
4.776

>  <PSA> (STK911888)
126.73

>  <H_Donors> (STK911888)
3

>  <H_Acceptors> (STK911888)
4

>  <Number_of_rings> (STK911888)
4

>  <NAME> (STK911888)
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-chloro-4-oxo-4H-chromene-2-carboxamide

>  <Mol_Weight> (STK911888)
402.86

>  <Mol_Formula> (STK911888)
C19H15ClN2O4S

>  <Smiles> (STK911888)
Clc1ccc2c(c1)c(=O)cc(o2)C(=O)Nc1sc2c(c1C(=O)N)CCCC2

$$$$