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

Systemtic Name: 2-[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-yl-pyridin-2-yl]sulfanyl-2-phenyl-ethanoic acid Openeye Name: 2-[[3-cyano-4-(4-methoxyphenyl)-6-(2-thienyl)-2-pyridyl]sulfanyl]-2-phenyl-acetic acid CAS Name: 2-[[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-yl-2-pyridinyl]thio]-2-phenylacetic acid IUPAC Name: 2-[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-ylpyridin-2-yl]sulfanyl-2-phenylacetic acid Traditional Name: 2-[[3-cyano-4-(4-methoxyphenyl)-6-(2-thienyl)-2-pyridyl]thio]-2-phenyl-acetic acid Formula: C25H18N2O3S2 MolecularWeight: 458.55202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SC(C3=CC=CC=C3)C(=O)O)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SC(C3=CC=CC=C3)C(=O)O)C4=CC=CS4

InChI

InChI=1S/C25H18N2O3S2/c1-30-18-11-9-16(10-12-18)19-14-21(22-8-5-13-31-22)27-24(20(19)15-26)32-23(25(28)29)17-6-3-2-4-7-17/h2-14,23H,1H3,(H,28,29)