1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-[(2Z)-2-phenylmethoxyimino-2-thiophen-3-yl-ethyl]piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-[(2Z)-2-phenylmethoxyimino-2-thiophen-3-yl-ethyl]piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 7-[4-[(2Z)-2-benzyloxyimino-2-(3-thienyl)ethyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[(2Z)-2-phenylmethoxyimino-2-(3-thiophenyl)ethyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[(2Z)-2-phenylmethoxyimino-2-thiophen-3-ylethyl]piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 7-[4-[(2Z)-2-benzyloximino-2-(3-thienyl)ethyl]piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C29H29FN4O4S MolecularWeight: 548.628363

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC(=NOCC4=CC=CC=C4)C5=CSC=C5)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C/C(=N\OCC4=CC=CC=C4)/C5=CSC=C5)F)C(=O)O

InChI

InChI=1S/C29H29FN4O4S/c1-2-33-16-23(29(36)37)28(35)22-14-24(30)27(15-26(22)33)34-11-9-32(10-12-34)17-25(21-8-13-39-19-21)31-38-18-20-6-4-3-5-7-20/h3-8,13-16,19H,2,9-12,17-18H2,1H3,(H,36,37)/b31-25+