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

Systemtic Name: 2-[3-cyano-4-(2-methoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanylethanoic acid Openeye Name: 2-[[3-cyano-4-(2-methoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]acetic acid CAS Name: 2-[[3-cyano-4-(2-methoxyphenyl)-6-phenyl-2-pyridinyl]thio]acetic acid IUPAC Name: 2-[3-cyano-4-(2-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanylacetic acid Traditional Name: 2-[[3-cyano-4-(2-methoxyphenyl)-6-phenyl-2-pyridyl]thio]acetic acid Formula: C21H16N2O3S MolecularWeight: 376.42834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC(=NC(=C2C#N)SCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1C2=CC(=NC(=C2C#N)SCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H16N2O3S/c1-26-19-10-6-5-9-15(19)16-11-18(14-7-3-2-4-8-14)23-21(17(16)12-22)27-13-20(24)25/h2-11H,13H2,1H3,(H,24,25)