[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzoic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoic acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C23H23N3O3S/c1-15-8-10-19(11-9-15)26-21(27)13-29-22(28)20-7-5-4-6-18(20)14-30-23-24-16(2)12-17(3)25-23/h4-12H,13-14H2,1-3H3,(H,26,27)