dimethyl (2S,3S,4R)-3-phenyl-1-(phenylsulfanylmethyl)pyrrolidine-2,4-dicarboxylate

Systemtic Name: dimethyl (2S,3S,4R)-3-phenyl-1-(phenylsulfanylmethyl)pyrrolidine-2,4-dicarboxylate Openeye Name: dimethyl (2S,3S,4R)-3-phenyl-1-(phenylsulfanylmethyl)pyrrolidine-2,4-dicarboxylate CAS Name: (2S,3S,4R)-3-phenyl-1-[(phenylthio)methyl]pyrrolidine-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (2S,3S,4R)-3-phenyl-1-(phenylsulfanylmethyl)pyrrolidine-2,4-dicarboxylate Traditional Name: (2S,3S,4R)-3-phenyl-1-[(phenylthio)methyl]pyrrolidine-2,4-dicarboxylic acid dimethyl ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(C(C1C2=CC=CC=C2)C(=O)OC)CSC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H]1CN([C@@H]([C@@H]1C2=CC=CC=C2)C(=O)OC)CSC3=CC=CC=C3

InChI

InChI=1S/C21H23NO4S/c1-25-20(23)17-13-22(14-27-16-11-7-4-8-12-16)19(21(24)26-2)18(17)15-9-5-3-6-10-15/h3-12,17-19H,13-14H2,1-2H3/t17-,18+,19-/m0/s1