-ISIS-  08091621332D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.0542    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.6333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583   -0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583   -1.8208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6458    0.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    2.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -1.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3333    2.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208   -0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6458    3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167    3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  1  0  0  0  0
 11  6  2  0  0  0  0
 12  9  2  0  0  0  0
 13  4  1  0  0  0  0
 14  6  1  0  0  0  0
 15 16  1  0  0  0  0
 16 13  2  0  0  0  0
 17  9  1  0  0  0  0
 18 14  1  0  0  0  0
 19 18  1  0  0  0  0
  3  5  1  0  0  0  0
 15  7  2  0  0  0  0
M  END
>  <ID> (BBL000797)
BBL000797

>  <Rotatable_Bonds> (BBL000797)
3

>  <logP> (BBL000797)
2.996

>  <PSA> (BBL000797)
109.66

>  <H_Donors> (BBL000797)
3

>  <H_Acceptors> (BBL000797)
3

>  <Number_of_rings> (BBL000797)
2

>  <NAME> (BBL000797)
ethyl 7-(acetylamino)-2-amino-1-benzothiophene-3-carboxylate

>  <Mol_Weight> (BBL000797)
278.33

>  <Mol_Formula> (BBL000797)
C13H14N2O3S

>  <Smiles> (BBL000797)
CCOC(=O)c1c(N)sc2c1cccc2NC(=O)C

>  <Alternative_identifier> (BBL000797)
MFCD00437064

$$$$