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

Systemtic Name: methyl 2-[4-(4-chlorophenyl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[4-(4-chlorophenyl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-(4-chlorophenyl)-2-pyrimidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4-(4-chlorophenyl)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(4-chlorophenyl)pyrimidin-2-yl]thio]acetic acid methyl ester Formula: C13H11ClN2O2S MolecularWeight: 294.75664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC=CC(=N1)C2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)CSC1=NC=CC(=N1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H11ClN2O2S/c1-18-12(17)8-19-13-15-7-6-11(16-13)9-2-4-10(14)5-3-9/h2-7H,8H2,1H3