N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-5-fluoranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-5-fluoranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-5-fluoro-benzothiophene-2-carboxamide CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-5-fluoro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-5-fluoro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-5-fluoro-benzothiophene-2-carboxamide Formula: C19H17FN2O5S MolecularWeight: 404.412083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC3=C(S2)C=CC(=C3)F)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC3=C(S2)C=CC(=C3)F)[N+](=O)[O-])OC

InChI

InChI=1S/C19H17FN2O5S/c1-26-15-8-11(14(22(24)25)10-16(15)27-2)5-6-21-19(23)18-9-12-7-13(20)3-4-17(12)28-18/h3-4,7-10H,5-6H2,1-2H3,(H,21,23)