-ISIS-  08091621332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.1625    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4792    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -0.2542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4792    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -0.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7792    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1708   -1.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    3.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    2.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -3.0417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7042   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6042    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    1.4750    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  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  1  0  0  0  0
 10  8  2  0  0  0  0
 11  6  2  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15  4  1  0  0  0  0
 16  7  1  0  0  0  0
 17  8  1  0  0  0  0
 18 10  1  0  0  0  0
 19 13  1  0  0  0  0
 20 15  1  0  0  0  0
 21 17  2  0  0  0  0
 22 16  1  0  0  0  0
 23 19  1  0  0  0  0
 24 21  1  0  0  0  0
 25 22  1  0  0  0  0
  7  4  2  0  0  0  0
 25 20  1  0  0  0  0
 24 18  2  0  0  0  0
M  END
>  <ID> (BBL000756)
BBL000756

>  <Rotatable_Bonds> (BBL000756)
4

>  <logP> (BBL000756)
6.985

>  <PSA> (BBL000756)
83.64

>  <H_Donors> (BBL000756)
1

>  <H_Acceptors> (BBL000756)
3

>  <Number_of_rings> (BBL000756)
3

>  <NAME> (BBL000756)
ethyl 2-{[(2-chlorophenyl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

>  <Mol_Weight> (BBL000756)
377.89

>  <Mol_Formula> (BBL000756)
C19H20ClNO3S

>  <Smiles> (BBL000756)
CCOC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCCCC2

>  <Alternative_identifier> (BBL000756)
MFCD00782619

$$$$