[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] 2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(2,5-dimethylphenyl)thio]-3-pyridinecarboxylic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(2,5-dimethylphenyl)thio]nicotinic acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)OCC(=O)NC3=CC(=C(C=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)OCC(=O)NC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C24H24N2O3S/c1-15-7-8-17(3)21(12-15)30-23-20(6-5-11-25-23)24(28)29-14-22(27)26-19-10-9-16(2)18(4)13-19/h5-13H,14H2,1-4H3,(H,26,27)