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

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-thenoyl)isonipecotic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=CS5

InChI

InChI=1S/C24H31N3O5S/c28-20(25-23(31)26-24-11-15-8-16(12-24)10-17(9-15)13-24)14-32-22(30)18-3-5-27(6-4-18)21(29)19-2-1-7-33-19/h1-2,7,15-18H,3-6,8-14H2,(H2,25,26,28,31)