tert-butyl 1-(3-ethanoylsulfanyl-2-phenyl-propanoyl)pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-(3-ethanoylsulfanyl-2-phenyl-propanoyl)pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-(3-acetylsulfanyl-2-phenyl-propanoyl)pyrrolidine-2-carboxylate CAS Name: 1-[3-(acetylthio)-1-oxo-2-phenylpropyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(3-acetylsulfanyl-2-phenylpropanoyl)pyrrolidine-2-carboxylate Traditional Name: 1-[3-(acetylthio)-2-phenyl-propanoyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C20H27NO4S MolecularWeight: 377.49768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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