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

Systemtic Name: [2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-(2,4-dimethylphenyl)-2-oxo-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [2-(2,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-2-oxoethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-(2,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O3S/c1-11-5-6-15(12(2)7-11)16(21)9-23-17(22)10-24-18-19-13(3)8-14(4)20-18/h5-8H,9-10H2,1-4H3