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

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4-fluoranyl-3-methyl-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4-fluoro-3-methyl-benzothiophene-2-carboxamide CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4-fluoro-3-methyl-benzothiophene-2-carboxamide Formula: C20H19FN2O5S MolecularWeight: 418.438663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC(=C12)F)C(=O)NCCC3=CC(=C(C=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=C(SC2=CC=CC(=C12)F)C(=O)NCCC3=CC(=C(C=C3[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H19FN2O5S/c1-11-18-13(21)5-4-6-17(18)29-19(11)20(24)22-8-7-12-9-15(27-2)16(28-3)10-14(12)23(25)26/h4-6,9-10H,7-8H2,1-3H3,(H,22,24)