methyl 2-[6-(1-adamantyl)-3-cyano-pyridin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[6-(1-adamantyl)-3-cyano-pyridin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[[6-(1-adamantyl)-3-cyano-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[6-(1-adamantyl)-3-cyano-2-pyridinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[6-(1-adamantyl)-3-cyanopyridin-2-yl]sulfanylacetate Traditional Name: 2-[[6-(1-adamantyl)-3-cyano-2-pyridyl]thio]acetic acid methyl ester Formula: C19H22N2O2S MolecularWeight: 342.45518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C=CC(=N1)C23CC4CC(C2)CC(C4)C3)C#N

Isomeric SMILES

COC(=O)CSC1=C(C=CC(=N1)C23CC4CC(C2)CC(C4)C3)C#N

InChI

InChI=1S/C19H22N2O2S/c1-23-17(22)11-24-18-15(10-20)2-3-16(21-18)19-7-12-4-13(8-19)6-14(5-12)9-19/h2-3,12-14H,4-9,11H2,1H3