ethyl (2S,4S)-1-(4-methylphenyl)sulfonyl-4-phenylsulfanyl-pyrrolidine-2-carboxylate

Systemtic Name: ethyl (2S,4S)-1-(4-methylphenyl)sulfonyl-4-phenylsulfanyl-pyrrolidine-2-carboxylate Openeye Name: ethyl (2S,4S)-4-phenylsulfanyl-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2S,4S)-1-(4-methylphenyl)sulfonyl-4-(phenylthio)-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,4S)-1-(4-methylphenyl)sulfonyl-4-phenylsulfanylpyrrolidine-2-carboxylate Traditional Name: (2S,4S)-4-(phenylthio)-1-tosyl-pyrrolidine-2-carboxylic acid ethyl ester Formula: C20H23NO4S2 MolecularWeight: 405.53092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(CN1S(=O)(=O)C2=CC=C(C=C2)C)SC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@H]1C[C@@H](CN1S(=O)(=O)C2=CC=C(C=C2)C)SC3=CC=CC=C3

InChI

InChI=1S/C20H23NO4S2/c1-3-25-20(22)19-13-17(26-16-7-5-4-6-8-16)14-21(19)27(23,24)18-11-9-15(2)10-12-18/h4-12,17,19H,3,13-14H2,1-2H3/t17-,19-/m0/s1