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

Systemtic Name: (phenylmethyl) 2-[3-cyano-4-(2-methoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: benzyl 2-[[3-cyano-4-(2-methoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-4-(2-methoxyphenyl)-6-phenyl-2-pyridinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-cyano-4-(2-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-4-(2-methoxyphenyl)-6-phenyl-2-pyridyl]thio]acetic acid benzyl ester Formula: C28H22N2O3S MolecularWeight: 466.55088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC(=NC(=C2C#N)SCC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C2=CC(=NC(=C2C#N)SCC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H22N2O3S/c1-32-26-15-9-8-14-22(26)23-16-25(21-12-6-3-7-13-21)30-28(24(23)17-29)34-19-27(31)33-18-20-10-4-2-5-11-20/h2-16H,18-19H2,1H3