2-[2-[6-(1-adamantyl)-3-cyano-pyridin-2-yl]sulfanylethanoylamino]ethanoate

Systemtic Name: 2-[2-[6-(1-adamantyl)-3-cyano-pyridin-2-yl]sulfanylethanoylamino]ethanoate Openeye Name: 2-[[2-[[6-(1-adamantyl)-3-cyano-2-pyridyl]sulfanyl]acetyl]amino]acetate CAS Name: 2-[[2-[[6-(1-adamantyl)-3-cyano-2-pyridinyl]thio]-1-oxoethyl]amino]acetate IUPAC Name: 2-[[2-[6-(1-adamantyl)-3-cyanopyridin-2-yl]sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[[6-(1-adamantyl)-3-cyano-2-pyridyl]thio]acetyl]amino]acetate Formula: C20H22N3O3S- MolecularWeight: 384.47198

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C=C4)C#N)SCC(=O)NCC(=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C=C4)C#N)SCC(=O)NCC(=O)[O-]

InChI

InChI=1S/C20H23N3O3S/c21-9-15-1-2-16(23-19(15)27-11-17(24)22-10-18(25)26)20-6-12-3-13(7-20)5-14(4-12)8-20/h1-2,12-14H,3-8,10-11H2,(H,22,24)(H,25,26)/p-1