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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(trichloromethylsulfanyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(trichloromethylsulfanyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(trichloromethylthio)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(trichloromethylsulfanyl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[4-(trichloromethylthio)piperazino]quinoline-3-carboxylic acid Formula: C18H17Cl3FN3O3S MolecularWeight: 480.768283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17Cl3FN3O3S/c19-18(20,21)29-24-5-3-23(4-6-24)15-8-14-11(7-13(15)22)16(26)12(17(27)28)9-25(14)10-1-2-10/h7-10H,1-6H2,(H,27,28)