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

Systemtic Name: (3-methoxyphenyl) 2-[3-cyano-4,6-bis(4-methoxyphenyl)pyridin-2-yl]sulfanylethanoate Openeye Name: (3-methoxyphenyl) 2-[[3-cyano-4,6-bis(4-methoxyphenyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-4,6-bis(4-methoxyphenyl)-2-pyridinyl]thio]acetic acid (3-methoxyphenyl) ester IUPAC Name: (3-methoxyphenyl) 2-[3-cyano-4,6-bis(4-methoxyphenyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-4,6-bis(4-methoxyphenyl)-2-pyridyl]thio]acetic acid (3-methoxyphenyl) ester Formula: C29H24N2O5S MolecularWeight: 512.57626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)OC3=CC(=CC=C3)OC)C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)OC3=CC(=CC=C3)OC)C4=CC=C(C=C4)OC

InChI

InChI=1S/C29H24N2O5S/c1-33-21-11-7-19(8-12-21)25-16-27(20-9-13-22(34-2)14-10-20)31-29(26(25)17-30)37-18-28(32)36-24-6-4-5-23(15-24)35-3/h4-16H,18H2,1-3H3