methyl 3-methylsulfanyl-2-sulfamoyl-benzoate

Systemtic Name: methyl 3-methylsulfanyl-2-sulfamoyl-benzoate Openeye Name: methyl 3-methylsulfanyl-2-sulfamoyl-benzoate CAS Name: 3-(methylthio)-2-sulfamoylbenzoic acid methyl ester IUPAC Name: methyl 3-methylsulfanyl-2-sulfamoylbenzoate Traditional Name: 3-(methylthio)-2-sulfamoyl-benzoic acid methyl ester Formula: C9H11NO4S2 MolecularWeight: 261.31794

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)SC)S(=O)(=O)N

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)SC)S(=O)(=O)N

InChI

InChI=1S/C9H11NO4S2/c1-14-9(11)6-4-3-5-7(15-2)8(6)16(10,12)13/h3-5H,1-2H3,(H2,10,12,13)