1-ethyl-6-fluoranyl-4-oxidanylidene-7-(4-thiophen-2-ylcarbonylpiperazin-1-yl)-4a,8a-dihydroquinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-(4-thiophen-2-ylcarbonylpiperazin-1-yl)-4a,8a-dihydroquinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(thiophene-2-carbonyl)piperazin-1-yl]-4a,8a-dihydroquinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-4a,8a-dihydroquinoline-3-carboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(thiophene-2-carbonyl)piperazin-1-yl]-4a,8a-dihydroquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-(2-thenoyl)piperazino]-4a,8a-dihydroquinoline-3-carboxylic acid Formula: C21H22FN3O4S MolecularWeight: 431.480483

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2C1C=C(C(=C2)F)N3CCN(CC3)C(=O)C4=CC=CS4)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2C1C=C(C(=C2)F)N3CCN(CC3)C(=O)C4=CC=CS4)C(=O)O

InChI

InChI=1S/C21H22FN3O4S/c1-2-23-12-14(21(28)29)19(26)13-10-15(22)17(11-16(13)23)24-5-7-25(8-6-24)20(27)18-4-3-9-30-18/h3-4,9-13,16H,2,5-8H2,1H3,(H,28,29)