1-cyclopropyl-6,8-bis(fluoranyl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-5-sulfanyl-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6,8-bis(fluoranyl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-5-sulfanyl-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6,8-difluoro-7-(4-methylpiperazin-1-yl)-4-oxo-5-sulfanyl-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6,8-difluoro-5-mercapto-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6,8-difluoro-7-(4-methylpiperazin-1-yl)-4-oxo-5-sulfanylquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6,8-difluoro-4-keto-5-mercapto-7-(4-methylpiperazino)quinoline-3-carboxylic acid Formula: C18H19F2N3O3S MolecularWeight: 395.423566

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C3=C(C(=C2F)S)C(=O)C(=CN3C4CC4)C(=O)O)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C3=C(C(=C2F)S)C(=O)C(=CN3C4CC4)C(=O)O)F

InChI

InChI=1S/C18H19F2N3O3S/c1-21-4-6-22(7-5-21)15-12(19)14-11(17(27)13(15)20)16(24)10(18(25)26)8-23(14)9-2-3-9/h8-9,27H,2-7H2,1H3,(H,25,26)