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

Systemtic Name: ethyl 4-[3-cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridyl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[3-cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanyl-3-oxobutanoate Traditional Name: 4-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridyl]thio]-3-keto-butyric acid ethyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5S/c1-4-27-19(24)10-15(23)12-28-20-14(11-21)5-7-16(22-20)13-6-8-17(25-2)18(9-13)26-3/h5-9H,4,10,12H2,1-3H3