N-[4-methoxy-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-methoxy-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[4-methoxy-3-(2-oxo-1-pyrrolidinyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[3-(2-ketopyrrolidino)-4-methoxy-phenyl]-5-nitro-benzothiophene-2-carboxamide Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])N4CCCC4=O

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])N4CCCC4=O

InChI

InChI=1S/C20H17N3O5S/c1-28-16-6-4-13(11-15(16)22-8-2-3-19(22)24)21-20(25)18-10-12-9-14(23(26)27)5-7-17(12)29-18/h4-7,9-11H,2-3,8H2,1H3,(H,21,25)