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

Systemtic Name: dimethyl 2-(2,2-dimethyl-3-sulfanyl-1H-quinolin-4-yl)-3-phenyl-1,3-thiazol-3-ium-4,5-dicarboxylate Openeye Name: dimethyl 2-(2,2-dimethyl-3-sulfanyl-1H-quinolin-4-yl)-3-phenyl-thiazol-3-ium-4,5-dicarboxylate CAS Name: 2-(3-mercapto-2,2-dimethyl-1H-quinolin-4-yl)-3-phenylthiazol-3-ium-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(2,2-dimethyl-3-sulfanyl-1H-quinolin-4-yl)-3-phenyl-1,3-thiazol-3-ium-4,5-dicarboxylate Traditional Name: 2-(3-mercapto-2,2-dimethyl-1H-quinolin-4-yl)-3-phenyl-thiazol-3-ium-4,5-dicarboxylic acid dimethyl ester Formula: C24H23N2O4S2+ MolecularWeight: 467.58042

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C2=CC=CC=C2N1)C3=[N+](C(=C(S3)C(=O)OC)C(=O)OC)C4=CC=CC=C4)S)C

Isomeric SMILES

CC1(C(=C(C2=CC=CC=C2N1)C3=[N+](C(=C(S3)C(=O)OC)C(=O)OC)C4=CC=CC=C4)S)C

InChI

InChI=1S/C24H22N2O4S2/c1-24(2)20(31)17(15-12-8-9-13-16(15)25-24)21-26(14-10-6-5-7-11-14)18(22(27)29-3)19(32-21)23(28)30-4/h5-13,25H,1-4H3/p+1