methyl 3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyloxymethyl]benzoate

Systemtic Name: methyl 3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyloxymethyl]benzoate Openeye Name: methyl 3-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]oxymethyl]benzoate CAS Name: 3-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]oxymethyl]benzoate Traditional Name: 3-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]oxymethyl]benzoic acid methyl ester Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC2=CC=CC(=C2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC2=CC=CC(=C2)C(=O)OC)C

InChI

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