6,8-bis(fluoranyl)-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate

Systemtic Name: 6,8-bis(fluoranyl)-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate Openeye Name: 6,8-difluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate CAS Name: 6,8-difluoro-1-(4-fluorophenyl)-7-(4-methyl-1-piperazinyl)-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate IUPAC Name: 6,8-difluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate Traditional Name: 6,8-difluoro-1-(4-fluorophenyl)-4-keto-7-(4-methylpiperazino)-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate Formula: C22H17F3N3O3S- MolecularWeight: 460.44889

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C3C(=C2F)N4C(SC4=C(C3=O)C(=O)[O-])C5=CC=C(C=C5)F)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C3C(=C2F)N4C(SC4=C(C3=O)C(=O)[O-])C5=CC=C(C=C5)F)F

InChI

InChI=1S/C22H18F3N3O3S/c1-26-6-8-27(9-7-26)18-14(24)10-13-17(16(18)25)28-20(11-2-4-12(23)5-3-11)32-21(28)15(19(13)29)22(30)31/h2-5,10,20H,6-9H2,1H3,(H,30,31)/p-1