methyl 4-[[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-yl-pyridin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-yl-pyridin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[3-cyano-4-(4-methoxyphenyl)-6-(2-thienyl)-2-pyridyl]sulfanylmethyl]benzoate CAS Name: 4-[[[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-yl-2-pyridinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-ylpyridin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[3-cyano-4-(4-methoxyphenyl)-6-(2-thienyl)-2-pyridyl]thio]methyl]benzoic acid methyl ester Formula: C26H20N2O3S2 MolecularWeight: 472.5786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3=CC=C(C=C3)C(=O)OC)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3=CC=C(C=C3)C(=O)OC)C4=CC=CS4

InChI

InChI=1S/C26H20N2O3S2/c1-30-20-11-9-18(10-12-20)21-14-23(24-4-3-13-32-24)28-25(22(21)15-27)33-16-17-5-7-19(8-6-17)26(29)31-2/h3-14H,16H2,1-2H3