methyl 2-[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]thio]acetic acid methyl ester Formula: C24H22N2O5S MolecularWeight: 450.50688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=CC(=NC(=C2C#N)SCC(=O)OC)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=CC(=NC(=C2C#N)SCC(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C24H22N2O5S/c1-28-20-10-16(11-21(29-2)23(20)31-4)17-12-19(15-8-6-5-7-9-15)26-24(18(17)13-25)32-14-22(27)30-3/h5-12H,14H2,1-4H3