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

Systemtic Name: 2-[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanylethanoic acid Openeye Name: 2-[[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]sulfanyl]acetic acid CAS Name: 2-[[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]thio]acetic acid IUPAC Name: 2-[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanylacetic acid Traditional Name: 2-[[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]thio]acetic acid Formula: C23H20N2O5S MolecularWeight: 436.4803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O5S/c1-28-19-9-15(10-20(29-2)22(19)30-3)16-11-18(14-7-5-4-6-8-14)25-23(17(16)12-24)31-13-21(26)27/h4-11H,13H2,1-3H3,(H,26,27)