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

Systemtic Name: 2,2-dimethylpropyl (2S)-1-[(2R)-2-chloranyl-3-phenylsulfanyl-propanoyl]pyrrolidine-2-carboxylate Openeye Name: 2,2-dimethylpropyl (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 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl (2S)-1-[(2R)-2-chloro-3-phenylsulfanylpropanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2R)-2-chloro-3-(phenylthio)propanoyl]pyrrolidine-2-carboxylic acid neopentyl ester Formula: C19H26ClNO3S MolecularWeight: 383.93264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26ClNO3S/c1-19(2,3)13-24-18(23)16-10-7-11-21(16)17(22)15(20)12-25-14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-13H2,1-3H3/t15-,16-/m0/s1