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

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate Openeye Name: [2-(o-tolylmethylamino)-2-oxo-ethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid [2-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-thenoyl)isonipecotic acid [2-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H24N2O4S/c1-15-5-2-3-6-17(15)13-22-19(24)14-27-21(26)16-8-10-23(11-9-16)20(25)18-7-4-12-28-18/h2-7,12,16H,8-11,13-14H2,1H3,(H,22,24)