tert-butyl 2-(tert-butylcarbamoyl)-4-phenylsulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-(tert-butylcarbamoyl)-4-phenylsulfanyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-(tert-butylcarbamoyl)-4-phenylsulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[(tert-butylamino)-oxomethyl]-4-(phenylthio)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(tert-butylcarbamoyl)-4-phenylsulfanylpyrrolidine-1-carboxylate Traditional Name: 2-(tert-butylcarbamoyl)-4-(phenylthio)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H30N2O3S MolecularWeight: 378.5288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O3S/c1-19(2,3)21-17(23)16-12-15(26-14-10-8-7-9-11-14)13-22(16)18(24)25-20(4,5)6/h7-11,15-16H,12-13H2,1-6H3,(H,21,23)