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

Systemtic Name: 1-ethyl-6-fluoranyl-7-(4-methyl-3-thiophen-2-yl-piperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-methyl-3-(2-thienyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-(4-methyl-3-thiophen-2-yl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-(4-methyl-3-thiophen-2-ylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-methyl-3-(2-thienyl)piperazino]quinoline-3-carboxylic acid Formula: C21H22FN3O3S MolecularWeight: 415.481083

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(C(C3)C4=CC=CS4)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(C(C3)C4=CC=CS4)C)F)C(=O)O

InChI

InChI=1S/C21H22FN3O3S/c1-3-24-11-14(21(27)28)20(26)13-9-15(22)17(10-16(13)24)25-7-6-23(2)18(12-25)19-5-4-8-29-19/h4-5,8-11,18H,3,6-7,12H2,1-2H3,(H,27,28)