methyl 2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyloxy]-2-phenyl-ethanoate

Systemtic Name: methyl 2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyloxy]-2-phenyl-ethanoate Openeye Name: methyl 2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]oxy-2-phenyl-acetate CAS Name: 2-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethoxy]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]oxy-2-phenylacetate Traditional Name: 2-[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]oxy-2-phenyl-acetic acid methyl ester Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4S/c1-11-9-12(2)19-17(18-11)24-10-14(20)23-15(16(21)22-3)13-7-5-4-6-8-13/h4-9,15H,10H2,1-3H3