tert-butyl (2S,4R)-2-(tert-butylcarbamoyl)-4-pyridin-4-ylsulfanyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl (2S,4R)-2-(tert-butylcarbamoyl)-4-pyridin-4-ylsulfanyl-piperidine-1-carboxylate Openeye Name: tert-butyl (2S,4R)-2-(tert-butylcarbamoyl)-4-(4-pyridylsulfanyl)piperidine-1-carboxylate CAS Name: (2S,4R)-2-[(tert-butylamino)-oxomethyl]-4-(pyridin-4-ylthio)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,4R)-2-(tert-butylcarbamoyl)-4-pyridin-4-ylsulfanylpiperidine-1-carboxylate Traditional Name: (2S,4R)-2-(tert-butylcarbamoyl)-4-(4-pyridylthio)piperidine-1-carboxylic acid tert-butyl ester Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CC(CCN1C(=O)OC(C)(C)C)SC2=CC=NC=C2

Isomeric SMILES

CC(C)(C)NC(=O)[C@@H]1C[C@@H](CCN1C(=O)OC(C)(C)C)SC2=CC=NC=C2

InChI

InChI=1S/C20H31N3O3S/c1-19(2,3)22-17(24)16-13-15(27-14-7-10-21-11-8-14)9-12-23(16)18(25)26-20(4,5)6/h7-8,10-11,15-16H,9,12-13H2,1-6H3,(H,22,24)/t15-,16+/m1/s1