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

Systemtic Name: 6,8-bis(fluoranyl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid; ethyl 6,8-bis(fluoranyl)-4-oxidanylidene-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate Openeye Name: 6,8-difluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid; ethyl 6,8-difluoro-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate CAS Name: 6,8-difluoro-7-(4-methyl-1-piperazinyl)-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid; 6,8-difluoro-4-oxo-7-(1-piperazinyl)-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid ethyl ester IUPAC Name: 6,8-difluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid; ethyl 6,8-difluoro-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate Traditional Name: 6,8-difluoro-4-keto-7-(4-methylpiperazino)-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid; 6,8-difluoro-4-keto-7-piperazino-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid ethyl ester Formula: C33H32F4N6O6S2 MolecularWeight: 748.767393

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2N(CS2)C3=C(C(=C(C=C3C1=O)F)N4CCNCC4)F.CN1CCN(CC1)C2=C(C=C3C(=C2F)N4CSC4=C(C3=O)C(=O)O)F

Isomeric SMILES

CCOC(=O)C1=C2N(CS2)C3=C(C(=C(C=C3C1=O)F)N4CCNCC4)F.CN1CCN(CC1)C2=C(C=C3C(=C2F)N4CSC4=C(C3=O)C(=O)O)F

InChI

InChI=1S/C17H17F2N3O3S.C16H15F2N3O3S/c1-2-25-17(24)11-15(23)9-7-10(18)14(21-5-3-20-4-6-21)12(19)13(9)22-8-26-16(11)22;1-19-2-4-20(5-3-19)13-9(17)6-8-12(11(13)18)21-7-25-15(21)10(14(8)22)16(23)24/h7,20H,2-6,8H2,1H3;6H,2-5,7H2,1H3,(H,23,24)