tert-butyl 1-[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-(3-benzoylsulfanyl-2-methyl-propanoyl)pyrrolidine-2-carboxylate CAS Name: 1-[3-(benzoylthio)-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(3-benzoylsulfanyl-2-methylpropanoyl)pyrrolidine-2-carboxylate Traditional Name: 1-[3-(benzoylthio)-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C20H27NO4S MolecularWeight: 377.49768

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC=CC=C1)C(=O)N2CCCC2C(=O)OC(C)(C)C

Isomeric SMILES

CC(CSC(=O)C1=CC=CC=C1)C(=O)N2CCCC2C(=O)OC(C)(C)C

InChI

InChI=1S/C20H27NO4S/c1-14(13-26-19(24)15-9-6-5-7-10-15)17(22)21-12-8-11-16(21)18(23)25-20(2,3)4/h5-7,9-10,14,16H,8,11-13H2,1-4H3