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

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-(3-thiophen-3-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-[3-(3-thienyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[3-(3-thiophenyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-(3-thiophen-3-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[3-(3-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=CSC=C4)F)C(=O)O

Isomeric SMILES

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

InChI

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