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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CSC4)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CSC4)F

InChI

InChI=1S/C18H19F2N3O3S/c1-21-2-4-22(5-3-21)16-13(19)6-11-15(14(16)20)23(10-8-27-9-10)7-12(17(11)24)18(25)26/h6-7,10H,2-5,8-9H2,1H3,(H,25,26)