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

Systemtic Name: methyl (2S)-1-[(2R)-2-chloranyl-3-phenylsulfanyl-propanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (2S)-1-[(2R)-2-chloro-3-phenylsulfanylpropanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2R)-2-chloro-3-(phenylthio)propanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C15H18ClNO3S MolecularWeight: 327.82632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClNO3S/c1-20-15(19)13-8-5-9-17(13)14(18)12(16)10-21-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3/t12-,13-/m0/s1