N-[[7-(5-ethanoyl-2-fluoranyl-phenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylsulfanyl-propanamide

Systemtic Name: N-[[7-(5-ethanoyl-2-fluoranyl-phenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylsulfanyl-propanamide Openeye Name: N-[[7-(5-acetyl-2-fluoro-phenyl)-5-methyl-2,3-dihydrobenzofuran-2-yl]methyl]-3-methylsulfanyl-propanamide CAS Name: N-[[7-(5-acetyl-2-fluorophenyl)-5-methyl-2,3-dihydrobenzofuran-2-yl]methyl]-3-(methylthio)propanamide IUPAC Name: N-[[7-(5-acetyl-2-fluorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylsulfanylpropanamide Traditional Name: N-[[7-(5-acetyl-2-fluoro-phenyl)-5-methyl-coumaran-2-yl]methyl]-3-(methylthio)propionamide Formula: C22H24FNO3S MolecularWeight: 401.494263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)C3=C(C=CC(=C3)C(=O)C)F)OC(C2)CNC(=O)CCSC

Isomeric SMILES

CC1=CC2=C(C(=C1)C3=C(C=CC(=C3)C(=O)C)F)OC(C2)CNC(=O)CCSC

InChI

InChI=1S/C22H24FNO3S/c1-13-8-16-10-17(12-24-21(26)6-7-28-3)27-22(16)19(9-13)18-11-15(14(2)25)4-5-20(18)23/h4-5,8-9,11,17H,6-7,10,12H2,1-3H3,(H,24,26)