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

Systemtic Name: diethyl 2-[4-(4-chlorophenyl)-6-methyl-pyrimidin-2-yl]sulfanylpropanedioate Openeye Name: diethyl 2-[4-(4-chlorophenyl)-6-methyl-pyrimidin-2-yl]sulfanylpropanedioate CAS Name: 2-[[4-(4-chlorophenyl)-6-methyl-2-pyrimidinyl]thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]sulfanylpropanedioate Traditional Name: 2-[[4-(4-chlorophenyl)-6-methyl-pyrimidin-2-yl]thio]malonic acid diethyl ester Formula: C18H19ClN2O4S MolecularWeight: 394.87246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)SC1=NC(=CC(=N1)C)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)SC1=NC(=CC(=N1)C)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H19ClN2O4S/c1-4-24-16(22)15(17(23)25-5-2)26-18-20-11(3)10-14(21-18)12-6-8-13(19)9-7-12/h6-10,15H,4-5H2,1-3H3