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

Systemtic Name: ethyl 2-[3-cyano-6-(4-methoxyphenyl)-4-thiophen-2-yl-pyridin-2-yl]sulfanylethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H18N2O3S2 MolecularWeight: 410.50922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)OC)C3=CC=CS3)C#N

Isomeric SMILES

CCOC(=O)CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)OC)C3=CC=CS3)C#N

InChI

InChI=1S/C21H18N2O3S2/c1-3-26-20(24)13-28-21-17(12-22)16(19-5-4-10-27-19)11-18(23-21)14-6-8-15(25-2)9-7-14/h4-11H,3,13H2,1-2H3