tert-butyl 2-(dimethylcarbamoyl)-4-(phenylcarbonylsulfanyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-(dimethylcarbamoyl)-4-(phenylcarbonylsulfanyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-benzoylsulfanyl-2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate CAS Name: 4-(benzoylthio)-2-[dimethylamino(oxo)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-benzoylsulfanyl-2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate Traditional Name: 4-(benzoylthio)-2-(dimethylcarbamoyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C19H26N2O4S MolecularWeight: 378.48574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N(C)C)SC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N(C)C)SC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H26N2O4S/c1-19(2,3)25-18(24)21-12-14(11-15(21)16(22)20(4)5)26-17(23)13-9-7-6-8-10-13/h6-10,14-15H,11-12H2,1-5H3