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

Systemtic Name: ethyl 1-[3,4-bis(fluoranyl)phenyl]-6,8-bis(fluoranyl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate Openeye Name: ethyl 1-(3,4-difluorophenyl)-6,8-difluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate CAS Name: 1-(3,4-difluorophenyl)-6,8-difluoro-7-(4-methyl-1-piperazinyl)-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(3,4-difluorophenyl)-6,8-difluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate Traditional Name: 1-(3,4-difluorophenyl)-6,8-difluoro-4-keto-7-(4-methylpiperazino)-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid ethyl ester Formula: C24H21F4N3O3S MolecularWeight: 507.500453

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2N(C(S2)C3=CC(=C(C=C3)F)F)C4=C(C(=C(C=C4C1=O)F)N5CCN(CC5)C)F

Isomeric SMILES

CCOC(=O)C1=C2N(C(S2)C3=CC(=C(C=C3)F)F)C4=C(C(=C(C=C4C1=O)F)N5CCN(CC5)C)F

InChI

InChI=1S/C24H21F4N3O3S/c1-3-34-24(33)17-21(32)13-11-16(27)20(30-8-6-29(2)7-9-30)18(28)19(13)31-22(35-23(17)31)12-4-5-14(25)15(26)10-12/h4-5,10-11,22H,3,6-9H2,1-2H3