[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-thenoyl)isonipecotic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1CCN(CC1)C(=O)C2=CC=CS2)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1CCN(CC1)C(=O)C2=CC=CS2)C3(CCCCC3)C#N

InChI

InChI=1S/C21H27N3O4S/c1-23(21(15-22)9-3-2-4-10-21)18(25)14-28-20(27)16-7-11-24(12-8-16)19(26)17-6-5-13-29-17/h5-6,13,16H,2-4,7-12,14H2,1H3