[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 7-fluoranyl-2-methyl-quinoline-3-carboxylate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 7-fluoranyl-2-methyl-quinoline-3-carboxylate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 7-fluoro-2-methyl-quinoline-3-carboxylate CAS Name: 7-fluoro-2-methyl-3-quinolinecarboxylic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate Traditional Name: 7-fluoro-2-methyl-quinoline-3-carboxylic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C20H16FNO3S MolecularWeight: 369.409343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)OCC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)OCC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C20H16FNO3S/c1-12-17(9-14-3-6-15(21)10-18(14)22-12)20(24)25-11-19(23)13-4-7-16(26-2)8-5-13/h3-10H,11H2,1-2H3