(4-phenylmethoxyphenyl) 2-[3-cyano-6-(4-methylphenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoate

Systemtic Name: (4-phenylmethoxyphenyl) 2-[3-cyano-6-(4-methylphenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: (4-benzyloxyphenyl) 2-[[3-cyano-4-phenyl-6-(p-tolyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(4-methylphenyl)-4-phenyl-2-pyridinyl]thio]acetic acid (4-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) 2-[3-cyano-6-(4-methylphenyl)-4-phenylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-4-phenyl-6-(p-tolyl)-2-pyridyl]thio]acetic acid (4-benzoxyphenyl) ester Formula: C34H26N2O3S MolecularWeight: 542.64684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)OC4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)OC4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C34H26N2O3S/c1-24-12-14-27(15-13-24)32-20-30(26-10-6-3-7-11-26)31(21-35)34(36-32)40-23-33(37)39-29-18-16-28(17-19-29)38-22-25-8-4-2-5-9-25/h2-20H,22-23H2,1H3