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

Systemtic Name: tert-butyl 2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylethanoate Openeye Name: tert-butyl 2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]thio]acetic acid tert-butyl ester Formula: C19H20N2O3S MolecularWeight: 356.4387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O3S/c1-19(2,3)24-17(22)12-25-18-14(11-20)7-10-16(21-18)13-5-8-15(23-4)9-6-13/h5-10H,12H2,1-4H3