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

Systemtic Name: ethyl 2-[2-(4-chlorophenyl)-5-ethanoyl-6-methyl-pyrimidin-4-yl]sulfanylethanoate Openeye Name: ethyl 2-[5-acetyl-2-(4-chlorophenyl)-6-methyl-pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[5-acetyl-2-(4-chlorophenyl)-6-methyl-4-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[5-acetyl-2-(4-chlorophenyl)-6-methyl-pyrimidin-4-yl]thio]acetic acid ethyl ester Formula: C17H17ClN2O3S MolecularWeight: 364.84648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=NC(=C1C(=O)C)C)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)CSC1=NC(=NC(=C1C(=O)C)C)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H17ClN2O3S/c1-4-23-14(22)9-24-17-15(11(3)21)10(2)19-16(20-17)12-5-7-13(18)8-6-12/h5-8H,4,9H2,1-3H3