1-ethyl-5,6,8-tris(fluoranyl)-4-oxidanylidene-7-(3-thiophen-3-ylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-5,6,8-tris(fluoranyl)-4-oxidanylidene-7-(3-thiophen-3-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-ethyl-5,6,8-trifluoro-4-oxo-7-[3-(3-thienyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-ethyl-5,6,8-trifluoro-4-oxo-7-[3-(3-thiophenyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-5,6,8-trifluoro-4-oxo-7-(3-thiophen-3-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 1-ethyl-5,6,8-trifluoro-4-keto-7-[3-(3-thienyl)piperazino]quinoline-3-carboxylic acid Formula: C20H18F3N3O3S MolecularWeight: 437.43543

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C(=C(C(=C2F)F)N3CCNC(C3)C4=CSC=C4)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C(=C(C(=C2F)F)N3CCNC(C3)C4=CSC=C4)F)C(=O)O

InChI

InChI=1S/C20H18F3N3O3S/c1-2-25-7-11(20(28)29)19(27)13-14(21)15(22)18(16(23)17(13)25)26-5-4-24-12(8-26)10-3-6-30-9-10/h3,6-7,9,12,24H,2,4-5,8H2,1H3,(H,28,29)