(phenylmethyl) (2S)-1-[(2R)-2-chloranyl-3-phenylsulfanyl-propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-[(2R)-2-chloranyl-3-phenylsulfanyl-propanoyl]pyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-[(2R)-2-chloro-3-phenylsulfanyl-propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2R)-2-chloro-1-oxo-3-(phenylthio)propyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[(2R)-2-chloro-3-phenylsulfanylpropanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2R)-2-chloro-3-(phenylthio)propanoyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C21H22ClNO3S MolecularWeight: 403.92228

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CSC2=CC=CC=C2)Cl)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CSC2=CC=CC=C2)Cl)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H22ClNO3S/c22-18(15-27-17-10-5-2-6-11-17)20(24)23-13-7-12-19(23)21(25)26-14-16-8-3-1-4-9-16/h1-6,8-11,18-19H,7,12-15H2/t18-,19-/m0/s1