N-[[4-(ethoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-[[4-(ethoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[[4-(ethoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[[4-(ethoxymethyl)phenyl]methyl]-1-[4-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[[4-(ethoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[4-(ethoxymethyl)benzyl]-5-keto-1-[4-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=CC=C(C=C1)CNC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)SC

Isomeric SMILES

CCOCC1=CC=C(C=C1)CNC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)SC

InChI

InChI=1S/C22H26N2O3S/c1-3-27-15-17-6-4-16(5-7-17)13-23-22(26)18-12-21(25)24(14-18)19-8-10-20(28-2)11-9-19/h4-11,18H,3,12-15H2,1-2H3,(H,23,26)