[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] adamantane-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] adamantane-2-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C22H29NO3S MolecularWeight: 387.53556

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C(=O)OCC(=O)NCCCSC4=CC=CC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C(=O)OCC(=O)NCCCSC4=CC=CC=C4

InChI

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