methyl 3-amino-1-benzothiophene-2-carboxylate 1,1-dioxide
  -molcms-06162618072D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.9511   -0.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8171    0.1910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6831   -0.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6831   -1.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8171   -1.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9511   -1.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3090   -2.5691    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5878   -0.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5878   -0.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0878   -1.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0878   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0878    0.0570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4067    0.9135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  2  0  0  0  0
  9 14  1  0  0  0  0
 14  1  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <ProductName>
methyl 3-amino-1-benzothiophene-2-carboxylate 1,1-dioxide

>  <CASNumber>
1707586-40-0

>  <MolecularFormula>
C10H9NO4S

>  <MDLNo>


>  <MolWt>
239.25

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
C12=CC=CC=C1C(N)=C(C(OC)=O)S2(=O)=O

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