8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(3-thiophen-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(3-thiophen-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 8-chloro-1-cyclopropyl-6-fluoro-4-oxo-7-[3-(2-thienyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 8-chloro-1-cyclopropyl-6-fluoro-4-oxo-7-(3-thiophen-2-yl-1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-1-cyclopropyl-6-fluoro-4-oxo-7-(3-thiophen-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 8-chloro-1-cyclopropyl-6-fluoro-4-keto-7-[3-(2-thienyl)piperazino]quinoline-3-carboxylic acid Formula: C21H19ClFN3O3S MolecularWeight: 447.910263

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)N4CCNC(C4)C5=CC=CS5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)N4CCNC(C4)C5=CC=CS5)F)C(=O)O

InChI

InChI=1S/C21H19ClFN3O3S/c22-17-18-12(20(27)13(21(28)29)9-26(18)11-3-4-11)8-14(23)19(17)25-6-5-24-15(10-25)16-2-1-7-30-16/h1-2,7-9,11,15,24H,3-6,10H2,(H,28,29)