1-ethyl-6-fluoranyl-7-[4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylcarbamothioyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylcarbamothioyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-[(5-methyl-3-phenyl-isoxazole-4-carbonyl)carbamothioyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[[[(5-methyl-3-phenyl-4-isoxazolyl)-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-[(5-methyl-3-phenyl-isoxazole-4-carbonyl)thiocarbamoyl]piperazino]quinoline-3-carboxylic acid Formula: C28H26FN5O5S MolecularWeight: 563.599943

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC(=O)C4=C(ON=C4C5=CC=CC=C5)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC(=O)C4=C(ON=C4C5=CC=CC=C5)C)F)C(=O)O

InChI

InChI=1S/C28H26FN5O5S/c1-3-32-15-19(27(37)38)25(35)18-13-20(29)22(14-21(18)32)33-9-11-34(12-10-33)28(40)30-26(36)23-16(2)39-31-24(23)17-7-5-4-6-8-17/h4-8,13-15H,3,9-12H2,1-2H3,(H,37,38)(H,30,36,40)