dimethyl 2-(2,2-dimethyl-3-sulfanyl-1H-quinolin-4-yl)-3-(3-methylphenyl)-1,3-thiazol-3-ium-4,5-dicarboxylate

Systemtic Name: dimethyl 2-(2,2-dimethyl-3-sulfanyl-1H-quinolin-4-yl)-3-(3-methylphenyl)-1,3-thiazol-3-ium-4,5-dicarboxylate Openeye Name: dimethyl 2-(2,2-dimethyl-3-sulfanyl-1H-quinolin-4-yl)-3-(m-tolyl)thiazol-3-ium-4,5-dicarboxylate CAS Name: 2-(3-mercapto-2,2-dimethyl-1H-quinolin-4-yl)-3-(3-methylphenyl)thiazol-3-ium-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(2,2-dimethyl-3-sulfanyl-1H-quinolin-4-yl)-3-(3-methylphenyl)-1,3-thiazol-3-ium-4,5-dicarboxylate Traditional Name: 2-(3-mercapto-2,2-dimethyl-1H-quinolin-4-yl)-3-(m-tolyl)thiazol-3-ium-4,5-dicarboxylic acid dimethyl ester Formula: C25H25N2O4S2+ MolecularWeight: 481.607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)[N+]2=C(SC(=C2C(=O)OC)C(=O)OC)C3=C(C(NC4=CC=CC=C43)(C)C)S

Isomeric SMILES

CC1=CC(=CC=C1)[N+]2=C(SC(=C2C(=O)OC)C(=O)OC)C3=C(C(NC4=CC=CC=C43)(C)C)S

InChI

InChI=1S/C25H24N2O4S2/c1-14-9-8-10-15(13-14)27-19(23(28)30-4)20(24(29)31-5)33-22(27)18-16-11-6-7-12-17(16)26-25(2,3)21(18)32/h6-13,26H,1-5H3/p+1