N-ethyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-ethyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-ethyl-N-[(3-fluoro-4-methoxy-phenyl)methyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-ethyl-N-(3-fluoro-4-methoxy-benzyl)-5-nitro-benzothiophene-2-carboxamide Formula: C19H17FN2O4S MolecularWeight: 388.412683

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)F)C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)F)C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17FN2O4S/c1-3-21(11-12-4-6-16(26-2)15(20)8-12)19(23)18-10-13-9-14(22(24)25)5-7-17(13)27-18/h4-10H,3,11H2,1-2H3