[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate

Systemtic Name: [2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate Openeye Name: [2-(2,3-dimethylanilino)-2-oxo-ethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid [2-(2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethylanilino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-thenoyl)isonipecotic acid [2-(2,3-dimethylanilino)-2-keto-ethyl] ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=CS3)C

InChI

InChI=1S/C21H24N2O4S/c1-14-5-3-6-17(15(14)2)22-19(24)13-27-21(26)16-8-10-23(11-9-16)20(25)18-7-4-12-28-18/h3-7,12,16H,8-11,13H2,1-2H3,(H,22,24)