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

Systemtic Name: [2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] adamantane-1-carboxylate Openeye Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] adamantane-1-carboxylate CAS Name: 1-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-1-carboxylate Traditional Name: adamantane-1-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)C23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=CS5

InChI

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