-ISIS-  08091621332D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -0.8875    0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000   -0.8667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    1.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -1.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -0.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4958   -0.6417    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  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7  5  2  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  4  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
  6  3  1  0  0  0  0
M  END
>  <ID> (BBL000482)
BBL000482

>  <Rotatable_Bonds> (BBL000482)
3

>  <logP> (BBL000482)
3.343

>  <PSA> (BBL000482)
80.56

>  <H_Donors> (BBL000482)
2

>  <H_Acceptors> (BBL000482)
2

>  <Number_of_rings> (BBL000482)
1

>  <NAME> (BBL000482)
ethyl 2-amino-4-methylthiophene-3-carboxylate

>  <Mol_Weight> (BBL000482)
185.25

>  <Mol_Formula> (BBL000482)
C8H11NO2S

>  <Smiles> (BBL000482)
CCOC(=O)c1c(N)scc1C

>  <CAS_Number> (BBL000482)
18614-46-5

>  <Alternative_identifier> (BBL000482)
MFCD00051669

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