N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)SC)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)SC)[N+](=O)[O-])OC

InChI

InChI=1S/C22H25N3O6S/c1-30-19-9-14(18(25(28)29)12-20(19)31-2)7-8-23-22(27)15-10-21(26)24(13-15)16-5-4-6-17(11-16)32-3/h4-6,9,11-12,15H,7-8,10,13H2,1-3H3,(H,23,27)