[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] adamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] adamantane-1-carboxylate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C22H29NO3S MolecularWeight: 387.53556

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)NCCSCC4=CC=CC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)NCCSCC4=CC=CC=C4

InChI

InChI=1S/C22H29NO3S/c24-20(23-6-7-27-15-16-4-2-1-3-5-16)14-26-21(25)22-11-17-8-18(12-22)10-19(9-17)13-22/h1-5,17-19H,6-15H2,(H,23,24)