tert-butyl (2S,4S)-2-(2,2-dimethylpropanoylperoxycarbonyl)-4-phenylsulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S,4S)-2-(2,2-dimethylpropanoylperoxycarbonyl)-4-phenylsulfanyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,4S)-2-(2,2-dimethylpropanoylperoxycarbonyl)-4-phenylsulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-2-[(2,2-dimethyl-1-oxopropyl)dioxy-oxomethyl]-4-(phenylthio)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,4S)-2-(2,2-dimethylpropanoylperoxycarbonyl)-4-phenylsulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-4-(phenylthio)-2-pivaloylperoxycarbonyl-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H29NO6S MolecularWeight: 423.52306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OOC(=O)C1CC(CN1C(=O)OC(C)(C)C)SC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)OOC(=O)[C@@H]1C[C@@H](CN1C(=O)OC(C)(C)C)SC2=CC=CC=C2

InChI

InChI=1S/C21H29NO6S/c1-20(2,3)18(24)28-27-17(23)16-12-15(29-14-10-8-7-9-11-14)13-22(16)19(25)26-21(4,5)6/h7-11,15-16H,12-13H2,1-6H3/t15-,16-/m0/s1