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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[3-(4-methylthiophen-2-yl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[3-(4-methyl-2-thienyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[3-(4-methyl-2-thiophenyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[3-(4-methylthiophen-2-yl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[3-(4-methyl-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)N3CCNC(C3)C4=CC(=CS4)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)C4=CC(=CS4)C)F)C(=O)O

InChI

InChI=1S/C21H22FN3O3S/c1-3-24-9-14(21(27)28)20(26)13-7-15(22)18(8-17(13)24)25-5-4-23-16(10-25)19-6-12(2)11-29-19/h6-9,11,16,23H,3-5,10H2,1-2H3,(H,27,28)