7-[4-(3-chloranyl-2-sulfanyl-phenyl)piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-(3-chloranyl-2-sulfanyl-phenyl)piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(3-chloro-2-sulfanyl-phenyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(3-chloro-2-mercaptophenyl)-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(3-chloro-2-sulfanylphenyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(3-chloro-2-mercapto-phenyl)piperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C23H21ClFN3O3S MolecularWeight: 473.947543

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C5=C(C(=CC=C5)Cl)S)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C5=C(C(=CC=C5)Cl)S)F)C(=O)O

InChI

InChI=1S/C23H21ClFN3O3S/c24-16-2-1-3-18(22(16)32)26-6-8-27(9-7-26)20-11-19-14(10-17(20)25)21(29)15(23(30)31)12-28(19)13-4-5-13/h1-3,10-13,32H,4-9H2,(H,30,31)