(4-acetamidophenyl) 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoate

Systemtic Name: (4-acetamidophenyl) 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoate Openeye Name: (4-acetamidophenyl) 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetic acid (4-acetamidophenyl) ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)OC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)OC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C21H19N3O3S/c1-14-12-19(16-6-4-3-5-7-16)24-21(22-14)28-13-20(26)27-18-10-8-17(9-11-18)23-15(2)25/h3-12H,13H2,1-2H3,(H,23,25)