ethyl 4-[2-[2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonyloxyethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonyloxyethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanylbenzoyl]oxyacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[2-[[2-(1-adamantylamino)-2-oxoethyl]thio]phenyl]-oxomethoxy]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbenzoyl]oxyacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]benzoyl]oxyacetyl]piperazine-1-carboxylic acid ethyl ester Formula: C28H37N3O6S MolecularWeight: 543.67488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H37N3O6S/c1-2-36-27(35)31-9-7-30(8-10-31)25(33)17-37-26(34)22-5-3-4-6-23(22)38-18-24(32)29-28-14-19-11-20(15-28)13-21(12-19)16-28/h3-6,19-21H,2,7-18H2,1H3,(H,29,32)