-ISIS-  08091621332D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -0.0583   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -2.0042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -1.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7708    0.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -0.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    1.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4292   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8333    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    2.0583    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  8  1  0  0  0  0
 15 11  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
  5  4  2  0  0  0  0
M  END
>  <ID> (BBL000769)
BBL000769

>  <Rotatable_Bonds> (BBL000769)
4

>  <logP> (BBL000769)
3.616

>  <PSA> (BBL000769)
83.64

>  <H_Donors> (BBL000769)
1

>  <H_Acceptors> (BBL000769)
3

>  <Number_of_rings> (BBL000769)
1

>  <NAME> (BBL000769)
ethyl 4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxylate

>  <Mol_Weight> (BBL000769)
255.34

>  <Mol_Formula> (BBL000769)
C12H17NO3S

>  <Smiles> (BBL000769)
CCOC(=O)c1c(NC(=O)CC)sc(c1C)C

>  <Alternative_identifier> (BBL000769)
MFCD00297441

$$$$