ethyl 4-[6-(1-adamantyl)-3-cyano-pyridin-2-yl]sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[6-(1-adamantyl)-3-cyano-pyridin-2-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[[6-(1-adamantyl)-3-cyano-2-pyridyl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[[6-(1-adamantyl)-3-cyano-2-pyridinyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[6-(1-adamantyl)-3-cyanopyridin-2-yl]sulfanyl-3-oxobutanoate Traditional Name: 4-[[6-(1-adamantyl)-3-cyano-2-pyridyl]thio]-3-keto-butyric acid ethyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3S/c1-2-27-20(26)8-18(25)13-28-21-17(12-23)3-4-19(24-21)22-9-14-5-15(10-22)7-16(6-14)11-22/h3-4,14-16H,2,5-11,13H2,1H3