(4-phenylmethoxyphenyl) 2-[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenyl-pyridin-2-yl]sulfanylethanoate

Systemtic Name: (4-phenylmethoxyphenyl) 2-[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: (4-benzyloxyphenyl) 2-[[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenyl-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenyl-2-pyridinyl]thio]acetic acid (4-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) 2-[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenyl-2-pyridyl]thio]acetic acid (4-benzoxyphenyl) ester Formula: C34H24N2O5S MolecularWeight: 572.62976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC(=NC(=C3C#N)SCC(=O)OC4=CC=C(C=C4)OCC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC(=NC(=C3C#N)SCC(=O)OC4=CC=C(C=C4)OCC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C34H24N2O5S/c35-19-29-28(25-11-16-31-32(17-25)40-22-39-31)18-30(24-9-5-2-6-10-24)36-34(29)42-21-33(37)41-27-14-12-26(13-15-27)38-20-23-7-3-1-4-8-23/h1-18H,20-22H2