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

Systemtic Name: (phenylmethyl) 2-[3-cyano-4,6-bis(4-methoxyphenyl)pyridin-2-yl]sulfanylethanoate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C29H24N2O4S MolecularWeight: 496.57686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C29H24N2O4S/c1-33-23-12-8-21(9-13-23)25-16-27(22-10-14-24(34-2)15-11-22)31-29(26(25)17-30)36-19-28(32)35-18-20-6-4-3-5-7-20/h3-16H,18-19H2,1-2H3