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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-(5-methylthiophen-2-yl)carbonylpiperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[(5-methyl-2-thiophenyl)-oxomethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-(5-methylthiophene-2-carbonyl)piperazino]quinoline-3-carboxylic acid Formula: C22H22FN3O4S MolecularWeight: 443.491183

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC=C(S4)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC=C(S4)C)F)C(=O)O

InChI

InChI=1S/C22H22FN3O4S/c1-3-24-12-15(22(29)30)20(27)14-10-16(23)18(11-17(14)24)25-6-8-26(9-7-25)21(28)19-5-4-13(2)31-19/h4-5,10-12H,3,6-9H2,1-2H3,(H,29,30)