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

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC(=O)CSC2=NC(=CC(=N2)C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC(=O)CSC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C17H19N3O3S/c1-11-4-6-14(7-5-11)20-15(21)9-23-16(22)10-24-17-18-12(2)8-13(3)19-17/h4-8H,9-10H2,1-3H3,(H,20,21)