[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 2-(1-adamantyl)ethanoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 2-(1-adamantyl)ethanoate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 2-(1-adamantyl)acetate CAS Name: 2-(1-adamantyl)acetic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 2-(1-adamantyl)acetate Traditional Name: 2-(1-adamantyl)acetic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C23H31NO3S MolecularWeight: 401.56214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO3S/c25-21(24-6-7-28-16-17-4-2-1-3-5-17)15-27-22(26)14-23-11-18-8-19(12-23)10-20(9-18)13-23/h1-5,18-20H,6-16H2,(H,24,25)