methyl 2-methylsulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: methyl 2-methylsulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: methyl 2-methylsulfanyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 2-(methylthio)-4-oxo-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-methylsulfanyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 4-keto-2-(methylthio)-1H-quinoline-3-carboxylic acid methyl ester Formula: C12H11NO3S MolecularWeight: 249.28564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC2=CC=CC=C2C1=O)SC

Isomeric SMILES

COC(=O)C1=C(NC2=CC=CC=C2C1=O)SC

InChI

InChI=1S/C12H11NO3S/c1-16-12(15)9-10(14)7-5-3-4-6-8(7)13-11(9)17-2/h3-6H,1-2H3,(H,13,14)