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

Systemtic Name: methyl 2-[5-(4-chlorophenyl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[5-(4-chlorophenyl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[5-(4-chlorophenyl)-2-pyrimidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[5-(4-chlorophenyl)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[5-(4-chlorophenyl)pyrimidin-2-yl]thio]acetic acid methyl ester Formula: C13H11ClN2O2S MolecularWeight: 294.75664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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