[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] adamantane-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] adamantane-2-carboxylate Openeye Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-keto-2-[4-(2-thenoyl)piperazino]ethyl] ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2C3CC4CC(C3)CC2C4)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2C3CC4CC(C3)CC2C4)C(=O)C5=CC=CS5

InChI

InChI=1S/C22H28N2O4S/c25-19(23-3-5-24(6-4-23)21(26)18-2-1-7-29-18)13-28-22(27)20-16-9-14-8-15(11-16)12-17(20)10-14/h1-2,7,14-17,20H,3-6,8-13H2