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

Systemtic Name: propan-2-yl 4-[3-cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-13(2)28-20(25)10-16(24)12-29-21-15(11-22)5-7-17(23-21)14-6-8-18(26-3)19(9-14)27-4/h5-9,13H,10,12H2,1-4H3