5-nitro-N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 5-nitro-N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-1-benzothiophene-2-carboxamide Openeye Name: 5-nitro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzothiophene-2-carboxamide CAS Name: 5-nitro-N-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-1-benzothiophene-2-carboxamide IUPAC Name: 5-nitro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(2-ketopyrrolidino)benzyl]-5-nitro-benzothiophene-2-carboxamide Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O4S/c24-19-2-1-9-22(19)15-5-3-13(4-6-15)12-21-20(25)18-11-14-10-16(23(26)27)7-8-17(14)28-18/h3-8,10-11H,1-2,9,12H2,(H,21,25)