2-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-N-(2-methylpropyl)ethanamide

Systemtic Name: 2-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-N-(2-methylpropyl)ethanamide Openeye Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-N-isobutyl-acetamide CAS Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-N-(2-methylpropyl)acetamide IUPAC Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-N-(2-methylpropyl)acetamide Traditional Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-N-isobutyl-acetamide Formula: C21H24FNO3S MolecularWeight: 389.483563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CSCC1=C2C(=CC(=C1)F)COC(O2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CNC(=O)CSCC1=C2C(=CC(=C1)F)CO[C@@H](O2)C3=CC=CC=C3

InChI

InChI=1S/C21H24FNO3S/c1-14(2)10-23-19(24)13-27-12-17-9-18(22)8-16-11-25-21(26-20(16)17)15-6-4-3-5-7-15/h3-9,14,21H,10-13H2,1-2H3,(H,23,24)/t21-/m0/s1