(2-oxidanylidene-1,2-diphenyl-ethyl) 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: (2-oxidanylidene-1,2-diphenyl-ethyl) 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: (2-oxo-1,2-diphenyl-ethyl) 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid (2-oxo-1,2-diphenylethyl) ester IUPAC Name: (2-oxo-1,2-diphenylethyl) 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid desyl ester Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C22H20N2O3S/c1-15-13-16(2)24-22(23-15)28-14-19(25)27-21(18-11-7-4-8-12-18)20(26)17-9-5-3-6-10-17/h3-13,21H,14H2,1-2H3