[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate CAS Name: 1-[1-adamantyl(oxo)methyl]-2-pyrrolidinecarboxylic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate Traditional Name: 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)OCC(=O)NC5=CC=CC=C5SCC#N

Isomeric SMILES

C1CC(N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)OCC(=O)NC5=CC=CC=C5SCC#N

InChI

InChI=1S/C26H31N3O4S/c27-7-9-34-22-6-2-1-4-20(22)28-23(30)16-33-24(31)21-5-3-8-29(21)25(32)26-13-17-10-18(14-26)12-19(11-17)15-26/h1-2,4,6,17-19,21H,3,5,8-16H2,(H,28,30)