(phenylmethyl) 2-(4-methyl-6-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-(4-methyl-6-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylethanoate Openeye Name: benzyl 2-(4-methyl-6-oxo-1-phenyl-pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4-methyl-6-oxo-1-phenyl-2-pyrimidinyl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(6-keto-4-methyl-1-phenyl-pyrimidin-2-yl)thio]acetic acid benzyl ester Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O3S/c1-15-12-18(23)22(17-10-6-3-7-11-17)20(21-15)26-14-19(24)25-13-16-8-4-2-5-9-16/h2-12H,13-14H2,1H3