[(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid [(1R)-2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)OC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CS1)OC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4S/c1-15(19(25)22-14-18-8-5-13-29-18)28-20(26)16-9-11-24(12-10-16)21(27)23-17-6-3-2-4-7-17/h2-8,13,15-16H,9-12,14H2,1H3,(H,22,25)(H,23,27)/t15-/m1/s1