(phenylmethyl) 2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylethanoate Openeye Name: benzyl 2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]thio]acetic acid benzyl ester Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H18N2O3S/c1-26-19-10-7-17(8-11-19)20-12-9-18(13-23)22(24-20)28-15-21(25)27-14-16-5-3-2-4-6-16/h2-12H,14-15H2,1H3