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

Systemtic Name: [2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-oxo-2-(p-tolylmethylamino)ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [2-[(4-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-keto-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S/c1-12-4-6-15(7-5-12)9-19-16(22)10-24-17(23)11-25-18-20-13(2)8-14(3)21-18/h4-8H,9-11H2,1-3H3,(H,19,22)