ethyl 4-oxidanylidene-7-(phenylmethylsulfanyl)-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 4-oxidanylidene-7-(phenylmethylsulfanyl)-1H-quinoline-3-carboxylate Openeye Name: ethyl 7-benzylsulfanyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 4-oxo-7-(phenylmethylthio)-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-benzylsulfanyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 7-(benzylthio)-4-keto-1H-quinoline-3-carboxylic acid ethyl ester Formula: C19H17NO3S MolecularWeight: 339.40818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC2=C(C1=O)C=CC(=C2)SCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CNC2=C(C1=O)C=CC(=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C19H17NO3S/c1-2-23-19(22)16-11-20-17-10-14(8-9-15(17)18(16)21)24-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,20,21)