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

Systemtic Name: 3-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylpropanoic acid Openeye Name: 3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]sulfanyl]propanoic acid CAS Name: 3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]thio]propanoic acid IUPAC Name: 3-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylpropanoic acid Traditional Name: 3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]thio]propionic acid Formula: C16H14N2O3S MolecularWeight: 314.35896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)O

InChI

InChI=1S/C16H14N2O3S/c1-21-13-5-2-11(3-6-13)14-7-4-12(10-17)16(18-14)22-9-8-15(19)20/h2-7H,8-9H2,1H3,(H,19,20)