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

Systemtic Name: 2-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-N-(3-methylbutyl)ethanamide Openeye Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-N-isopentyl-acetamide CAS Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-N-(3-methylbutyl)acetamide IUPAC Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-N-(3-methylbutyl)acetamide Traditional Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-N-isoamyl-acetamide Formula: C22H26FNO3S MolecularWeight: 403.510143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26FNO3S/c1-15(2)8-9-24-20(25)14-28-13-18-11-19(23)10-17-12-26-22(27-21(17)18)16-6-4-3-5-7-16/h3-7,10-11,15,22H,8-9,12-14H2,1-2H3,(H,24,25)/t22-/m0/s1