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

Systemtic Name: ethyl 1-[2-[2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonyloxyethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanylbenzoyl]oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[2-[[2-(1-adamantylamino)-2-oxoethyl]thio]phenyl]-oxomethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbenzoyl]oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]benzoyl]oxyacetyl]isonipecotic acid ethyl ester Formula: C29H38N2O6S MolecularWeight: 542.68682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H38N2O6S/c1-2-36-27(34)22-7-9-31(10-8-22)26(33)17-37-28(35)23-5-3-4-6-24(23)38-18-25(32)30-29-14-19-11-20(15-29)13-21(12-19)16-29/h3-6,19-22H,2,7-18H2,1H3,(H,30,32)