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

Systemtic Name: 6,8-bis(fluoranyl)-1-methyl-4-oxidanylidene-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid; ethyl 6,8-bis(fluoranyl)-1-methyl-4-oxidanylidene-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate Openeye Name: 6,8-difluoro-1-methyl-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid; ethyl 6,8-difluoro-1-methyl-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate CAS Name: 6,8-difluoro-1-methyl-4-oxo-7-(1-piperazinyl)-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid; 6,8-difluoro-1-methyl-4-oxo-7-(1-piperazinyl)-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid ethyl ester IUPAC Name: 6,8-difluoro-1-methyl-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid; ethyl 6,8-difluoro-1-methyl-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate Traditional Name: 6,8-difluoro-4-keto-1-methyl-7-piperazino-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid; 6,8-difluoro-4-keto-1-methyl-7-piperazino-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid ethyl ester Formula: C34H34F4N6O6S2 MolecularWeight: 762.793973

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2N(C(S2)C)C3=C(C(=C(C=C3C1=O)F)N4CCNCC4)F.CC1N2C3=C(C(=C(C=C3C(=O)C(=C2S1)C(=O)O)F)N4CCNCC4)F

Isomeric SMILES

CCOC(=O)C1=C2N(C(S2)C)C3=C(C(=C(C=C3C1=O)F)N4CCNCC4)F.CC1N2C3=C(C(=C(C=C3C(=O)C(=C2S1)C(=O)O)F)N4CCNCC4)F

InChI

InChI=1S/C18H19F2N3O3S.C16H15F2N3O3S/c1-3-26-18(25)12-16(24)10-8-11(19)15(22-6-4-21-5-7-22)13(20)14(10)23-9(2)27-17(12)23;1-7-21-12-8(14(22)10(16(23)24)15(21)25-7)6-9(17)13(11(12)18)20-4-2-19-3-5-20/h8-9,21H,3-7H2,1-2H3;6-7,19H,2-5H2,1H3,(H,23,24)