(phenylmethyl) 2-[3-cyano-6-(4-methoxyphenyl)-4-thiophen-2-yl-pyridin-2-yl]sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-[3-cyano-6-(4-methoxyphenyl)-4-thiophen-2-yl-pyridin-2-yl]sulfanylethanoate Openeye Name: benzyl 2-[[3-cyano-6-(4-methoxyphenyl)-4-(2-thienyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(4-methoxyphenyl)-4-thiophen-2-yl-2-pyridinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-cyano-6-(4-methoxyphenyl)-4-thiophen-2-ylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-(4-methoxyphenyl)-4-(2-thienyl)-2-pyridyl]thio]acetic acid benzyl ester Formula: C26H20N2O3S2 MolecularWeight: 472.5786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CS3)C#N)SCC(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CS3)C#N)SCC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H20N2O3S2/c1-30-20-11-9-19(10-12-20)23-14-21(24-8-5-13-32-24)22(15-27)26(28-23)33-17-25(29)31-16-18-6-3-2-4-7-18/h2-14H,16-17H2,1H3