2-[2-(2-chlorophenyl)-5-ethanoyl-6-methyl-pyrimidin-4-yl]sulfanylethanoate

Systemtic Name: 2-[2-(2-chlorophenyl)-5-ethanoyl-6-methyl-pyrimidin-4-yl]sulfanylethanoate Openeye Name: 2-[5-acetyl-2-(2-chlorophenyl)-6-methyl-pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[5-acetyl-2-(2-chlorophenyl)-6-methyl-4-pyrimidinyl]thio]acetate IUPAC Name: 2-[5-acetyl-2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[5-acetyl-2-(2-chlorophenyl)-6-methyl-pyrimidin-4-yl]thio]acetate Formula: C15H12ClN2O3S- MolecularWeight: 335.78538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2Cl)SCC(=O)[O-])C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2Cl)SCC(=O)[O-])C(=O)C

InChI

InChI=1S/C15H13ClN2O3S/c1-8-13(9(2)19)15(22-7-12(20)21)18-14(17-8)10-5-3-4-6-11(10)16/h3-6H,7H2,1-2H3,(H,20,21)/p-1