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

Systemtic Name: (phenylmethyl) 2-[3-cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanylethanoate Openeye Name: benzyl 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridyl]thio]acetic acid benzyl ester Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O4S/c1-27-20-11-9-17(12-21(20)28-2)19-10-8-18(13-24)23(25-19)30-15-22(26)29-14-16-6-4-3-5-7-16/h3-12H,14-15H2,1-2H3