6-fluoranyl-1-methyl-7-[4-(2-methylsulfanylphenyl)piperazin-1-yl]-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-methyl-7-[4-(2-methylsulfanylphenyl)piperazin-1-yl]-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-methyl-7-[4-(2-methylsulfanylphenyl)piperazin-1-yl]-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-methyl-7-[4-[2-(methylthio)phenyl]-1-piperazinyl]-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-methyl-7-[4-(2-methylsulfanylphenyl)piperazin-1-yl]-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-1-methyl-7-[4-[2-(methylthio)phenyl]piperazino]-8-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C23H21F4N3O3S MolecularWeight: 495.489753

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=CC(=C(C(=C21)C(F)(F)F)N3CCN(CC3)C4=CC=CC=C4SC)F)C(=O)O

Isomeric SMILES

CN1C=C(C(=O)C2=CC(=C(C(=C21)C(F)(F)F)N3CCN(CC3)C4=CC=CC=C4SC)F)C(=O)O

InChI

InChI=1S/C23H21F4N3O3S/c1-28-12-14(22(32)33)21(31)13-11-15(24)20(18(19(13)28)23(25,26)27)30-9-7-29(8-10-30)16-5-3-4-6-17(16)34-2/h3-6,11-12H,7-10H2,1-2H3,(H,32,33)