N-[[7-(5-ethanoylthiophen-2-yl)-5-fluoranyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[[7-(5-ethanoylthiophen-2-yl)-5-fluoranyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[[7-(5-acetyl-2-thienyl)-5-fluoro-2,3-dihydrobenzofuran-2-yl]methyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[[7-(5-acetyl-2-thiophenyl)-5-fluoro-2,3-dihydrobenzofuran-2-yl]methyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[[7-(5-acetyl-2-thienyl)-5-fluoro-coumaran-2-yl]methyl]-2-(methylthio)nicotinamide Formula: C22H19FN2O3S2 MolecularWeight: 442.526263

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(S1)C2=CC(=CC3=C2OC(C3)CNC(=O)C4=C(N=CC=C4)SC)F

Isomeric SMILES

CC(=O)C1=CC=C(S1)C2=CC(=CC3=C2OC(C3)CNC(=O)C4=C(N=CC=C4)SC)F

InChI

InChI=1S/C22H19FN2O3S2/c1-12(26)18-5-6-19(30-18)17-10-14(23)8-13-9-15(28-20(13)17)11-25-21(27)16-4-3-7-24-22(16)29-2/h3-8,10,15H,9,11H2,1-2H3,(H,25,27)