[2-oxidanylidene-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: [2-oxo-2-[[(1R)-1-(2-thienyl)ethyl]amino]ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid [2-keto-2-[[(1R)-1-(2-thienyl)ethyl]amino]ethyl] ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)COC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=CS1)NC(=O)COC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S/c1-14(18-7-4-12-29-18)21-19(24)13-28-20(25)15-8-10-22(11-9-15)16-5-2-3-6-17(16)23(26)27/h2-7,12,14-15H,8-11,13H2,1H3,(H,21,24)/t14-/m1/s1