[1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate

Systemtic Name: [1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate Openeye Name: [2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid [1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cycloheptylamino)-1-oxopropan-2-yl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-thenoyl)isonipecotic acid [2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H30N2O4S MolecularWeight: 406.5389

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)C2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CC(C(=O)NC1CCCCCC1)OC(=O)C2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H30N2O4S/c1-15(19(24)22-17-7-4-2-3-5-8-17)27-21(26)16-10-12-23(13-11-16)20(25)18-9-6-14-28-18/h6,9,14-17H,2-5,7-8,10-13H2,1H3,(H,22,24)