1-ethyl-6-fluoranyl-4-oxidanylidene-7-(2-piperazin-1-yl-1,3-thiazol-4-yl)quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-(2-piperazin-1-yl-1,3-thiazol-4-yl)quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-(2-piperazin-1-ylthiazol-4-yl)quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[2-(1-piperazinyl)-4-thiazolyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-(2-piperazin-1-yl-1,3-thiazol-4-yl)quinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-(2-piperazinothiazol-4-yl)quinoline-3-carboxylic acid Formula: C19H19FN4O3S MolecularWeight: 402.442563

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)C3=CSC(=N3)N4CCNCC4)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)C3=CSC(=N3)N4CCNCC4)F)C(=O)O

InChI

InChI=1S/C19H19FN4O3S/c1-2-23-9-13(18(26)27)17(25)12-7-14(20)11(8-16(12)23)15-10-28-19(22-15)24-5-3-21-4-6-24/h7-10,21H,2-6H2,1H3,(H,26,27)