(phenylmethyl) (2R)-2-[(1S)-2-ethanoylsulfanyl-1-oxidanyl-ethyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2R)-2-[(1S)-2-ethanoylsulfanyl-1-oxidanyl-ethyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2R)-2-[(1S)-2-acetylsulfanyl-1-hydroxy-ethyl]pyrrolidine-1-carboxylate CAS Name: (2R)-2-[(1S)-2-(acetylthio)-1-hydroxyethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-2-[(1S)-2-acetylsulfanyl-1-hydroxyethyl]pyrrolidine-1-carboxylate Traditional Name: (2R)-2-[(1S)-2-(acetylthio)-1-hydroxy-ethyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(C1CCCN1C(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

CC(=O)SC[C@H]([C@H]1CCCN1C(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C16H21NO4S/c1-12(18)22-11-15(19)14-8-5-9-17(14)16(20)21-10-13-6-3-2-4-7-13/h2-4,6-7,14-15,19H,5,8-11H2,1H3/t14-,15-/m1/s1