ethyl (2R,4S,5R)-3,3-bis(methylsulfanyl)-5-phenyl-4-(phenylcarbonyl)pyrrolidine-2-carboxylate

Systemtic Name: ethyl (2R,4S,5R)-3,3-bis(methylsulfanyl)-5-phenyl-4-(phenylcarbonyl)pyrrolidine-2-carboxylate Openeye Name: ethyl (2R,4S,5R)-4-benzoyl-3,3-bis(methylsulfanyl)-5-phenyl-pyrrolidine-2-carboxylate CAS Name: (2R,4S,5R)-4-benzoyl-3,3-bis(methylthio)-5-phenyl-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R,4S,5R)-4-benzoyl-3,3-bis(methylsulfanyl)-5-phenylpyrrolidine-2-carboxylate Traditional Name: (2R,4S,5R)-4-benzoyl-3,3-bis(methylthio)-5-phenyl-pyrrolidine-2-carboxylic acid ethyl ester Formula: C22H25NO3S2 MolecularWeight: 415.5688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(C(N1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)(SC)SC

Isomeric SMILES

CCOC(=O)[C@@H]1C([C@@H]([C@@H](N1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)(SC)SC

InChI

InChI=1S/C22H25NO3S2/c1-4-26-21(25)20-22(27-2,28-3)17(19(24)16-13-9-6-10-14-16)18(23-20)15-11-7-5-8-12-15/h5-14,17-18,20,23H,4H2,1-3H3/t17-,18-,20+/m0/s1