dimethyl 2-[4-(4-chlorophenyl)-6-methyl-pyrimidin-2-yl]sulfanylpropanedioate

Systemtic Name: dimethyl 2-[4-(4-chlorophenyl)-6-methyl-pyrimidin-2-yl]sulfanylpropanedioate Openeye Name: dimethyl 2-[4-(4-chlorophenyl)-6-methyl-pyrimidin-2-yl]sulfanylpropanedioate CAS Name: 2-[[4-(4-chlorophenyl)-6-methyl-2-pyrimidinyl]thio]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]sulfanylpropanedioate Traditional Name: 2-[[4-(4-chlorophenyl)-6-methyl-pyrimidin-2-yl]thio]malonic acid dimethyl ester Formula: C16H15ClN2O4S MolecularWeight: 366.8193

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=C(C=C2)Cl)SC(C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=C(C=C2)Cl)SC(C(=O)OC)C(=O)OC

InChI

InChI=1S/C16H15ClN2O4S/c1-9-8-12(10-4-6-11(17)7-5-10)19-16(18-9)24-13(14(20)22-2)15(21)23-3/h4-8,13H,1-3H3