tert-butyl 2-[3-cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanylethanoate

Systemtic Name: tert-butyl 2-[3-cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanylethanoate Openeye Name: tert-butyl 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridyl]thio]acetic acid tert-butyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4S/c1-20(2,3)26-18(23)12-27-19-14(11-21)6-8-15(22-19)13-7-9-16(24-4)17(10-13)25-5/h6-10H,12H2,1-5H3