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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FNO3S/c1-21(2,3)23-18(24)13-27-12-16-10-17(22)9-15-11-25-20(26-19(15)16)14-7-5-4-6-8-14/h4-10,20H,11-13H2,1-3H3,(H,23,24)/t20-/m0/s1