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

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-(3-thiophen-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-[3-(2-thienyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-(3-thiophen-2-yl-1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-(3-thiophen-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[3-(2-thienyl)piperazino]quinoline-3-carboxylic acid Formula: C20H20FN3O3S MolecularWeight: 401.454503

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)C4=CC=CS4)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)C4=CC=CS4)F)C(=O)O

InChI

InChI=1S/C20H20FN3O3S/c1-2-23-10-13(20(26)27)19(25)12-8-14(21)17(9-16(12)23)24-6-5-22-15(11-24)18-4-3-7-28-18/h3-4,7-10,15,22H,2,5-6,11H2,1H3,(H,26,27)