[2-(1-adamantyl)-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-thenoyl)isonipecotic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C23H29NO4S MolecularWeight: 415.54566

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=CS5

InChI

InChI=1S/C23H29NO4S/c25-20(23-11-15-8-16(12-23)10-17(9-15)13-23)14-28-22(27)18-3-5-24(6-4-18)21(26)19-2-1-7-29-19/h1-2,7,15-18H,3-6,8-14H2