[(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate Openeye Name: [(1R)-2-(benzylamino)-1-methyl-2-oxo-ethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid [(2R)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-thenoyl)isonipecotic acid [(1R)-2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CC=C1)OC(=O)C2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H24N2O4S/c1-15(19(24)22-14-16-6-3-2-4-7-16)27-21(26)17-9-11-23(12-10-17)20(25)18-8-5-13-28-18/h2-8,13,15,17H,9-12,14H2,1H3,(H,22,24)/t15-/m1/s1