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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-methyl-3-(5-methylthiophen-2-yl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-methyl-3-(5-methyl-2-thienyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-methyl-3-(5-methyl-2-thiophenyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-methyl-3-(5-methylthiophen-2-yl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-methyl-3-(5-methyl-2-thienyl)piperazino]quinoline-3-carboxylic acid Formula: C22H24FN3O3S MolecularWeight: 429.507663

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(C(C3)C4=CC=C(S4)C)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(C(C3)C4=CC=C(S4)C)C)F)C(=O)O

InChI

InChI=1S/C22H24FN3O3S/c1-4-25-11-15(22(28)29)21(27)14-9-16(23)18(10-17(14)25)26-8-7-24(3)19(12-26)20-6-5-13(2)30-20/h5-6,9-11,19H,4,7-8,12H2,1-3H3,(H,28,29)