(4-acetamidophenyl) 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: (4-acetamidophenyl) 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: (4-acetamidophenyl) 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid (4-acetamidophenyl) ester Formula: C16H17N3O3S MolecularWeight: 331.38948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OC2=CC=C(C=C2)NC(=O)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OC2=CC=C(C=C2)NC(=O)C)C

InChI

InChI=1S/C16H17N3O3S/c1-10-8-11(2)18-16(17-10)23-9-15(21)22-14-6-4-13(5-7-14)19-12(3)20/h4-8H,9H2,1-3H3,(H,19,20)