methyl 6-methylsulfanyl-1-oxidanidyl-2-sulfamoyl-pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 6-methylsulfanyl-1-oxidanidyl-2-sulfamoyl-pyridin-1-ium-3-carboxylate Openeye Name: methyl 6-methylsulfanyl-1-oxido-2-sulfamoyl-pyridin-1-ium-3-carboxylate CAS Name: 6-(methylthio)-1-oxido-2-sulfamoyl-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 6-methylsulfanyl-1-oxido-2-sulfamoylpyridin-1-ium-3-carboxylate Traditional Name: 6-(methylthio)-1-oxido-2-sulfamoyl-pyridin-1-ium-3-carboxylic acid methyl ester Formula: C8H10N2O5S2 MolecularWeight: 278.3054

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C([N+](=C(C=C1)SC)[O-])S(=O)(=O)N

Isomeric SMILES

COC(=O)C1=C([N+](=C(C=C1)SC)[O-])S(=O)(=O)N

InChI

InChI=1S/C8H10N2O5S2/c1-15-8(11)5-3-4-6(16-2)10(12)7(5)17(9,13)14/h3-4H,1-2H3,(H2,9,13,14)