[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S/c1-11-5-12(2)7-15(6-11)21-16(22)9-24-17(23)10-25-18-19-13(3)8-14(4)20-18/h5-8H,9-10H2,1-4H3,(H,21,22)