ethyl 8-fluoranyl-4-oxidanylidene-6-(phenylmethylsulfanyl)-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 8-fluoranyl-4-oxidanylidene-6-(phenylmethylsulfanyl)-1H-quinoline-3-carboxylate Openeye Name: ethyl 6-benzylsulfanyl-8-fluoro-4-oxo-1H-quinoline-3-carboxylate CAS Name: 8-fluoro-4-oxo-6-(phenylmethylthio)-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-benzylsulfanyl-8-fluoro-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 6-(benzylthio)-8-fluoro-4-keto-1H-quinoline-3-carboxylic acid ethyl ester Formula: C19H16FNO3S MolecularWeight: 357.398643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC2=C(C=C(C=C2C1=O)SCC3=CC=CC=C3)F

Isomeric SMILES

CCOC(=O)C1=CNC2=C(C=C(C=C2C1=O)SCC3=CC=CC=C3)F

InChI

InChI=1S/C19H16FNO3S/c1-2-24-19(23)15-10-21-17-14(18(15)22)8-13(9-16(17)20)25-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,21,22)