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

Systemtic Name: ethyl 2-[6-(1-adamantyl)-3-cyano-pyridin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[[6-(1-adamantyl)-3-cyano-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[6-(1-adamantyl)-3-cyano-2-pyridinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-(1-adamantyl)-3-cyanopyridin-2-yl]sulfanylacetate Traditional Name: 2-[[6-(1-adamantyl)-3-cyano-2-pyridyl]thio]acetic acid ethyl ester Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O2S/c1-2-24-18(23)12-25-19-16(11-21)3-4-17(22-19)20-8-13-5-14(9-20)7-15(6-13)10-20/h3-4,13-15H,2,5-10,12H2,1H3