(7-methylsulfanyl-4-oxidanylidene-1H-quinolin-3-yl) ethanesulfonate

Systemtic Name: (7-methylsulfanyl-4-oxidanylidene-1H-quinolin-3-yl) ethanesulfonate Openeye Name: (7-methylsulfanyl-4-oxo-1H-quinolin-3-yl) ethanesulfonate CAS Name: ethanesulfonic acid [7-(methylthio)-4-oxo-1H-quinolin-3-yl] ester IUPAC Name: (7-methylsulfanyl-4-oxo-1H-quinolin-3-yl) ethanesulfonate Traditional Name: ethanesulfonic acid [4-keto-7-(methylthio)-1H-quinolin-3-yl] ester Formula: C12H13NO4S2 MolecularWeight: 299.36592

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CNC2=C(C1=O)C=CC(=C2)SC

Isomeric SMILES

CCS(=O)(=O)OC1=CNC2=C(C1=O)C=CC(=C2)SC

InChI

InChI=1S/C12H13NO4S2/c1-3-19(15,16)17-11-7-13-10-6-8(18-2)4-5-9(10)12(11)14/h4-7H,3H2,1-2H3,(H,13,14)