(1-methyl-7-methylsulfanyl-4-oxidanylidene-quinolin-3-yl) methanesulfonate

Systemtic Name: (1-methyl-7-methylsulfanyl-4-oxidanylidene-quinolin-3-yl) methanesulfonate Openeye Name: (1-methyl-7-methylsulfanyl-4-oxo-3-quinolyl) methanesulfonate CAS Name: methanesulfonic acid [1-methyl-7-(methylthio)-4-oxo-3-quinolinyl] ester IUPAC Name: (1-methyl-7-methylsulfanyl-4-oxoquinolin-3-yl) methanesulfonate Traditional Name: methanesulfonic acid [4-keto-1-methyl-7-(methylthio)-3-quinolyl] ester Formula: C12H13NO4S2 MolecularWeight: 299.36592

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1C=C(C=C2)SC)OS(=O)(=O)C

Isomeric SMILES

CN1C=C(C(=O)C2=C1C=C(C=C2)SC)OS(=O)(=O)C

InChI

InChI=1S/C12H13NO4S2/c1-13-7-11(17-19(3,15)16)12(14)9-5-4-8(18-2)6-10(9)13/h4-7H,1-3H3