3-Ethyl 5-Methyl Ester-4-Amino-isothiazole-3,5-dicarboxylic Acid
  -molcms-05262609542D

 15 15  0  0  0  0  0  0  0  0999 V2000
    1.0827    1.2024    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5827    0.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5772    0.2319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9839   -0.6817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1650    1.0409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1595    0.9364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9135   -0.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7321    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1045    0.9945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1215   -1.3849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 14  2  0  0  0  0
 14  1  1  0  0  0  0
  7 15  1  0  0  0  0
M  END
>  <ProductName>
3-Ethyl 5-Methyl Ester-4-Amino-isothiazole-3,5-dicarboxylic Acid

>  <CASNumber>
632291-73-7

>  <MolecularFormula>
C8H10N2O4S

>  <MDLNo>


>  <MolWt>
230.24

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
S1C(C(=O)OC)=C(C(C(=O)OCC)=N1)N

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