-ISIS-  08091621332D

 22 23  0  0  0  0  0  0  0  0999 V2000
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    0.1083    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8833   -0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    1.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8833   -0.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0708    0.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    2.2250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3833    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3583    1.9208    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
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  9  7  2  0  0  0  0
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 22 17  1  0  0  0  0
  4  5  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <ID> (BBL000353)
BBL000353

>  <Rotatable_Bonds> (BBL000353)
7

>  <logP> (BBL000353)
5.087

>  <PSA> (BBL000353)
83.64

>  <H_Donors> (BBL000353)
1

>  <H_Acceptors> (BBL000353)
3

>  <Number_of_rings> (BBL000353)
2

>  <NAME> (BBL000353)
ethyl 2-[(5-chloropentanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

>  <Mol_Weight> (BBL000353)
343.87

>  <Mol_Formula> (BBL000353)
C16H22ClNO3S

>  <Smiles> (BBL000353)
ClCCCCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2

>  <Alternative_identifier> (BBL000353)
MFCD00846564

$$$$