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

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)NC4=CC=CC=C4SCC#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)NC4=CC=CC=C4SCC#N

InChI

InChI=1S/C21H24N2O3S/c22-5-6-27-18-4-2-1-3-17(18)23-19(24)13-26-20(25)21-10-14-7-15(11-21)9-16(8-14)12-21/h1-4,14-16H,6-13H2,(H,23,24)