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

Systemtic Name: propyl (2S)-1-[(2R)-2-chloranyl-3-phenylsulfanyl-propanoyl]pyrrolidine-2-carboxylate Openeye Name: propyl (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 propyl ester IUPAC Name: propyl (2S)-1-[(2R)-2-chloro-3-phenylsulfanylpropanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2R)-2-chloro-3-(phenylthio)propanoyl]pyrrolidine-2-carboxylic acid propyl ester Formula: C17H22ClNO3S MolecularWeight: 355.87948

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1CCCN1C(=O)C(CSC2=CC=CC=C2)Cl

Isomeric SMILES

CCCOC(=O)[C@@H]1CCCN1C(=O)[C@H](CSC2=CC=CC=C2)Cl

InChI

InChI=1S/C17H22ClNO3S/c1-2-11-22-17(21)15-9-6-10-19(15)16(20)14(18)12-23-13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12H2,1H3/t14-,15-/m0/s1