5-oxidanylidene-N-[2-(phenylmethylsulfanyl)ethyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

Systemtic Name: 5-oxidanylidene-N-[2-(phenylmethylsulfanyl)ethyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide CAS Name: 5-oxo-N-[2-(phenylmethylthio)ethyl]-1-(3,4,5-trimethoxyphenyl)-3-pyrrolidinecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-5-keto-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide Formula: C23H28N2O5S MolecularWeight: 444.54382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)N2CC(CC2=O)C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)N2CC(CC2=O)C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O5S/c1-28-19-12-18(13-20(29-2)22(19)30-3)25-14-17(11-21(25)26)23(27)24-9-10-31-15-16-7-5-4-6-8-16/h4-8,12-13,17H,9-11,14-15H2,1-3H3,(H,24,27)