tert-butyl (3S,4S)-3-oxidanyl-4-phenylsulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (3S,4S)-3-oxidanyl-4-phenylsulfanyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl (3S,4S)-3-hydroxy-4-phenylsulfanyl-pyrrolidine-1-carboxylate CAS Name: (3S,4S)-3-hydroxy-4-(phenylthio)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4S)-3-hydroxy-4-phenylsulfanylpyrrolidine-1-carboxylate Traditional Name: (3S,4S)-3-hydroxy-4-(phenylthio)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C(C1)SC2=CC=CC=C2)O

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@@H]([C@H](C1)SC2=CC=CC=C2)O

InChI

InChI=1S/C15H21NO3S/c1-15(2,3)19-14(18)16-9-12(17)13(10-16)20-11-7-5-4-6-8-11/h4-8,12-13,17H,9-10H2,1-3H3/t12-,13-/m0/s1