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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-(5-methyl-4-propyl-thiophen-2-yl)carbonylpiperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-(5-methyl-4-propyl-thiophene-2-carbonyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[(5-methyl-4-propyl-2-thiophenyl)-oxomethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-(5-methyl-4-propylthiophene-2-carbonyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-(5-methyl-4-propyl-thiophene-2-carbonyl)piperazino]quinoline-3-carboxylic acid Formula: C25H28FN3O4S MolecularWeight: 485.570923

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1)C(=O)N2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)CC)F)C

Isomeric SMILES

CCCC1=C(SC(=C1)C(=O)N2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)CC)F)C

InChI

InChI=1S/C25H28FN3O4S/c1-4-6-16-11-22(34-15(16)3)24(31)29-9-7-28(8-10-29)21-13-20-17(12-19(21)26)23(30)18(25(32)33)14-27(20)5-2/h11-14H,4-10H2,1-3H3,(H,32,33)