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

Systemtic Name: 1-ethyl-6-fluoranyl-7-(4-methyl-3-thiophen-3-yl-piperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-methyl-3-(3-thienyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-methyl-3-(3-thiophenyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-(4-methyl-3-thiophen-3-ylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-methyl-3-(3-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=CSC=C4)C)F)C(=O)O

Isomeric SMILES

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

InChI

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