tert-butyl (3R,4R)-3-oxidanyl-4-(phenylcarbonylsulfanyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (3R,4R)-3-oxidanyl-4-(phenylcarbonylsulfanyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (3R,4R)-3-benzoylsulfanyl-4-hydroxy-pyrrolidine-1-carboxylate CAS Name: (3R,4R)-3-(benzoylthio)-4-hydroxy-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3R,4R)-3-benzoylsulfanyl-4-hydroxypyrrolidine-1-carboxylate Traditional Name: (3R,4R)-3-(benzoylthio)-4-hydroxy-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C16H21NO4S MolecularWeight: 323.40724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C(C1)SC(=O)C2=CC=CC=C2)O

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)SC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C16H21NO4S/c1-16(2,3)21-15(20)17-9-12(18)13(10-17)22-14(19)11-7-5-4-6-8-11/h4-8,12-13,18H,9-10H2,1-3H3/t12-,13-/m1/s1