1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(trifluoromethylsulfanylmethyl)piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(trifluoromethylsulfanylmethyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(trifluoromethylsulfanylmethyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[(trifluoromethylthio)methyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(trifluoromethylsulfanylmethyl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[4-[(trifluoromethylthio)methyl]piperazino]quinoline-3-carboxylic acid Formula: C19H19F4N3O3S MolecularWeight: 445.431073

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CSC(F)(F)F)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CSC(F)(F)F)F)C(=O)O

InChI

InChI=1S/C19H19F4N3O3S/c20-14-7-12-15(26(11-1-2-11)9-13(17(12)27)18(28)29)8-16(14)25-5-3-24(4-6-25)10-30-19(21,22)23/h7-9,11H,1-6,10H2,(H,28,29)