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

Systemtic Name: (3-methoxyphenyl) 2-[3-cyano-4-(4-methoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: (3-methoxyphenyl) 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]thio]acetic acid (3-methoxyphenyl) ester IUPAC Name: (3-methoxyphenyl) 2-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]thio]acetic acid (3-methoxyphenyl) ester Formula: C28H22N2O4S MolecularWeight: 482.55028

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H22N2O4S/c1-32-21-13-11-19(12-14-21)24-16-26(20-7-4-3-5-8-20)30-28(25(24)17-29)35-18-27(31)34-23-10-6-9-22(15-23)33-2/h3-16H,18H2,1-2H3