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

Systemtic Name: cyclohexyl (2S)-1-[(2R)-2-chloranyl-3-phenylsulfanyl-propanoyl]pyrrolidine-2-carboxylate Openeye Name: cyclohexyl (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 cyclohexyl ester IUPAC Name: cyclohexyl (2S)-1-[(2R)-2-chloro-3-phenylsulfanylpropanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2R)-2-chloro-3-(phenylthio)propanoyl]pyrrolidine-2-carboxylic acid cyclohexyl ester Formula: C20H26ClNO3S MolecularWeight: 395.94334

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2CCCN2C(=O)C(CSC3=CC=CC=C3)Cl

Isomeric SMILES

C1CCC(CC1)OC(=O)[C@@H]2CCCN2C(=O)[C@H](CSC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H26ClNO3S/c21-17(14-26-16-10-5-2-6-11-16)19(23)22-13-7-12-18(22)20(24)25-15-8-3-1-4-9-15/h2,5-6,10-11,15,17-18H,1,3-4,7-9,12-14H2/t17-,18-/m0/s1