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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26FNO3S/c1-14(2)15(3)24-20(25)13-28-12-18-10-19(23)9-17-11-26-22(27-21(17)18)16-7-5-4-6-8-16/h4-10,14-15,22H,11-13H2,1-3H3,(H,24,25)/t15-,22-/m0/s1