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

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

Isomeric SMILES

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

InChI

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