1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-[2-(trifluoromethylsulfanyl)ethyl]piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-[2-(trifluoromethylsulfanyl)ethyl]piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[2-(trifluoromethylsulfanyl)ethyl]piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[2-(trifluoromethylthio)ethyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[2-(trifluoromethylsulfanyl)ethyl]piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[4-[2-(trifluoromethylthio)ethyl]piperazino]quinoline-3-carboxylic acid Formula: C20H21F4N3O3S MolecularWeight: 459.457653

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21F4N3O3S/c21-15-9-13-16(27(12-1-2-12)11-14(18(13)28)19(29)30)10-17(15)26-5-3-25(4-6-26)7-8-31-20(22,23)24/h9-12H,1-8H2,(H,29,30)