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

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-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)C3C(=O)OCC(=O)NC4=CC=CC=C4SCC#N

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C(=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)12-26-21(25)20-15-8-13-7-14(10-15)11-16(20)9-13/h1-4,13-16,20H,6-12H2,(H,23,24)