ethyl 4-[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-yl-pyridin-2-yl]sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-yl-pyridin-2-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[[3-cyano-4-(4-methoxyphenyl)-6-(2-thienyl)-2-pyridyl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-yl-2-pyridinyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-ylpyridin-2-yl]sulfanyl-3-oxobutanoate Traditional Name: 4-[[3-cyano-4-(4-methoxyphenyl)-6-(2-thienyl)-2-pyridyl]thio]-3-keto-butyric acid ethyl ester Formula: C23H20N2O4S2 MolecularWeight: 452.5459

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)OC)C#N

InChI

InChI=1S/C23H20N2O4S2/c1-3-29-22(27)11-16(26)14-31-23-19(13-24)18(15-6-8-17(28-2)9-7-15)12-20(25-23)21-5-4-10-30-21/h4-10,12H,3,11,14H2,1-2H3