[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] adamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] adamantane-1-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-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)(C3)C(=O)OCC(=O)NCCCSC4=CC=CC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=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)15-26-21(25)22-12-16-9-17(13-22)11-18(10-16)14-22/h1-3,5-6,16-18H,4,7-15H2,(H,23,24)