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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SC(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SC(C3=CC=CC=C3)C(=O)O

InChI

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