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

Systemtic Name: methyl 4-oxidanylidene-2-sulfanyl-1H-quinoline-3-carboxylate Openeye Name: methyl 4-oxo-2-sulfanyl-1H-quinoline-3-carboxylate CAS Name: 2-mercapto-4-oxo-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-sulfanyl-1H-quinoline-3-carboxylate Traditional Name: 4-keto-2-mercapto-1H-quinoline-3-carboxylic acid methyl ester Formula: C11H9NO3S MolecularWeight: 235.25906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9NO3S/c1-15-11(14)8-9(13)6-4-2-3-5-7(6)12-10(8)16/h2-5H,1H3,(H2,12,13,16)