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

Systemtic Name: [(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate Openeye Name: [(1R)-2-(4-cyanoanilino)-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-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-thenoyl)isonipecotic acid [(1R)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)OC(=O)C2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C#N)OC(=O)C2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H21N3O4S/c1-14(19(25)23-17-6-4-15(13-22)5-7-17)28-21(27)16-8-10-24(11-9-16)20(26)18-3-2-12-29-18/h2-7,12,14,16H,8-11H2,1H3,(H,23,25)/t14-/m1/s1