1-(4-methylsulfanylphenyl)-5-oxidanylidene-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide

Systemtic Name: 1-(4-methylsulfanylphenyl)-5-oxidanylidene-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide Openeye Name: 1-(4-methylsulfanylphenyl)-5-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide CAS Name: 1-[4-(methylthio)phenyl]-5-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-(4-methylsulfanylphenyl)-5-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide Traditional Name: 5-keto-1-[4-(methylthio)phenyl]-N-(3,4,5-trimethoxybenzyl)pyrrolidine-3-carboxamide Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)SC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)SC

InChI

InChI=1S/C22H26N2O5S/c1-27-18-9-14(10-19(28-2)21(18)29-3)12-23-22(26)15-11-20(25)24(13-15)16-5-7-17(30-4)8-6-16/h5-10,15H,11-13H2,1-4H3,(H,23,26)