trimethyl (2S,5S)-2-phenyl-5-[(phenylmethylsulfanyl)methyl]-1,2-dihydropyrrole-3,4,5-tricarboxylate

Systemtic Name: trimethyl (2S,5S)-2-phenyl-5-[(phenylmethylsulfanyl)methyl]-1,2-dihydropyrrole-3,4,5-tricarboxylate Openeye Name: trimethyl (2S,5S)-5-(benzylsulfanylmethyl)-2-phenyl-1,2-dihydropyrrole-3,4,5-tricarboxylate CAS Name: (2S,5S)-2-phenyl-5-[(phenylmethylthio)methyl]-1,2-dihydropyrrole-3,4,5-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl (2S,5S)-5-(benzylsulfanylmethyl)-2-phenyl-1,2-dihydropyrrole-3,4,5-tricarboxylate Traditional Name: (2S,5S)-2-[(benzylthio)methyl]-5-phenyl-3-pyrroline-2,3,4-tricarboxylic acid trimethyl ester Formula: C24H25NO6S MolecularWeight: 455.5234

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(NC1C2=CC=CC=C2)(CSCC3=CC=CC=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

COC(=O)C1=C([C@@](N[C@H]1C2=CC=CC=C2)(CSCC3=CC=CC=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C24H25NO6S/c1-29-21(26)18-19(22(27)30-2)24(23(28)31-3,15-32-14-16-10-6-4-7-11-16)25-20(18)17-12-8-5-9-13-17/h4-13,20,25H,14-15H2,1-3H3/t20-,24-/m0/s1