[2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] adamantane-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] adamantane-2-carboxylate Openeye Name: [2-oxo-2-[2-(2-thienylmethylsulfanyl)ethylamino]ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-oxo-2-[2-(thiophen-2-ylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-keto-2-[2-(2-thenylthio)ethylamino]ethyl] ester Formula: C20H27NO3S2 MolecularWeight: 393.56328

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C(=O)OCC(=O)NCCSCC4=CC=CS4

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C(=O)OCC(=O)NCCSCC4=CC=CS4

InChI

InChI=1S/C20H27NO3S2/c22-18(21-3-5-25-12-17-2-1-4-26-17)11-24-20(23)19-15-7-13-6-14(9-15)10-16(19)8-13/h1-2,4,13-16,19H,3,5-12H2,(H,21,22)