5-oxidanylidene-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

Systemtic Name: 5-oxidanylidene-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide Openeye Name: 5-oxo-N-[4-(3-pyridylmethylsulfanyl)phenyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide CAS Name: 5-oxo-N-[4-(3-pyridinylmethylthio)phenyl]-1-(3,4,5-trimethoxyphenyl)-3-pyrrolidinecarboxamide IUPAC Name: 5-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide Traditional Name: 5-keto-N-[4-(3-pyridylmethylthio)phenyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C26H27N3O5S/c1-32-22-12-20(13-23(33-2)25(22)34-3)29-15-18(11-24(29)30)26(31)28-19-6-8-21(9-7-19)35-16-17-5-4-10-27-14-17/h4-10,12-14,18H,11,15-16H2,1-3H3,(H,28,31)