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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(2-sulfanylethoxycarbonyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(2-sulfanylethoxycarbonyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[4-[2-mercaptoethoxy(oxo)methyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(2-sulfanylethoxycarbonyl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[4-(2-mercaptoethoxycarbonyl)piperazino]quinoline-3-carboxylic acid Formula: C20H22FN3O5S MolecularWeight: 435.469183

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=O)OCCS)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=O)OCCS)F)C(=O)O

InChI

InChI=1S/C20H22FN3O5S/c21-15-9-13-16(24(12-1-2-12)11-14(18(13)25)19(26)27)10-17(15)22-3-5-23(6-4-22)20(28)29-7-8-30/h9-12,30H,1-8H2,(H,26,27)