[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NCC2=CC=CS2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NCC2=CC=CS2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c23-18(20-12-15-4-3-11-28-15)13-27-19(24)14-7-9-21(10-8-14)16-5-1-2-6-17(16)22(25)26/h1-6,11,14H,7-10,12-13H2,(H,20,23)