7-[2,5-bis(chloranyl)thiophen-3-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-3-piperazin-1-yl-2H-quinoline-3-carboxylic acid

Systemtic Name: 7-[2,5-bis(chloranyl)thiophen-3-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-3-piperazin-1-yl-2H-quinoline-3-carboxylic acid Openeye Name: 7-(2,5-dichloro-3-thienyl)-1-ethyl-6-fluoro-4-oxo-3-piperazin-1-yl-2H-quinoline-3-carboxylic acid CAS Name: 7-(2,5-dichloro-3-thiophenyl)-1-ethyl-6-fluoro-4-oxo-3-(1-piperazinyl)-2H-quinoline-3-carboxylic acid IUPAC Name: 7-(2,5-dichlorothiophen-3-yl)-1-ethyl-6-fluoro-4-oxo-3-piperazin-1-yl-2H-quinoline-3-carboxylic acid Traditional Name: 7-(2,5-dichloro-3-thienyl)-1-ethyl-6-fluoro-4-keto-3-piperazino-2H-quinoline-3-carboxylic acid Formula: C20H20Cl2FN3O3S MolecularWeight: 472.360503

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(C(=O)C2=C1C=C(C(=C2)F)C3=C(SC(=C3)Cl)Cl)(C(=O)O)N4CCNCC4

Isomeric SMILES

CCN1CC(C(=O)C2=C1C=C(C(=C2)F)C3=C(SC(=C3)Cl)Cl)(C(=O)O)N4CCNCC4

InChI

InChI=1S/C20H20Cl2FN3O3S/c1-2-25-10-20(19(28)29,26-5-3-24-4-6-26)17(27)13-7-14(23)11(8-15(13)25)12-9-16(21)30-18(12)22/h7-9,24H,2-6,10H2,1H3,(H,28,29)