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

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 7-fluoranyl-2-methyl-quinoline-3-carboxylate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 7-fluoro-2-methyl-quinoline-3-carboxylate CAS Name: 7-fluoro-2-methyl-3-quinolinecarboxylic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate Traditional Name: 7-fluoro-2-methyl-quinoline-3-carboxylic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C20H17FN2O3S MolecularWeight: 384.423983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)OCC(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)OCC(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C20H17FN2O3S/c1-12-17(8-13-6-7-14(21)9-18(13)22-12)20(25)26-11-19(24)23-15-4-3-5-16(10-15)27-2/h3-10H,11H2,1-2H3,(H,23,24)