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

Systemtic Name: 2-[3-cyano-4-(4-methoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanylpropanoic acid Openeye Name: 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]propanoic acid CAS Name: 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]thio]propanoic acid IUPAC Name: 2-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanylpropanoic acid Traditional Name: 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]thio]propionic acid Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CC(C(=O)O)SC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)OC)C#N

InChI

InChI=1S/C22H18N2O3S/c1-14(22(25)26)28-21-19(13-23)18(15-8-10-17(27-2)11-9-15)12-20(24-21)16-6-4-3-5-7-16/h3-12,14H,1-2H3,(H,25,26)