-ISIS-  08091621332D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.2083   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3083    0.9833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7833    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2833    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -0.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3208   -1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2833   -1.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    0.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5833   -2.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7833    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    2.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2750   -0.0042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958   -0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2708    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7708    2.0708    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  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  7  2  0  0  0  0
 10  8  2  0  0  0  0
 11  7  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14 15  1  0  0  0  0
 15  8  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  1  0  0  0  0
  4  5  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <ID> (BBL000281)
BBL000281

>  <Rotatable_Bonds> (BBL000281)
2

>  <logP> (BBL000281)
2.655

>  <PSA> (BBL000281)
100.43

>  <H_Donors> (BBL000281)
3

>  <H_Acceptors> (BBL000281)
2

>  <Number_of_rings> (BBL000281)
2

>  <NAME> (BBL000281)
2-[(chloroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

>  <Mol_Weight> (BBL000281)
272.76

>  <Mol_Formula> (BBL000281)
C11H13ClN2O2S

>  <Smiles> (BBL000281)
ClCC(=O)Nc1sc2c(c1C(=O)N)CCCC2

>  <CAS_Number> (BBL000281)
20886-87-7

>  <Alternative_identifier> (BBL000281)
MFCD00226747

$$$$