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

Systemtic Name: N-[4-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]phenyl]ethanamide Openeye Name: N-[4-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]phenyl]acetamide CAS Name: N-[4-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]phenyl]acetamide IUPAC Name: N-[4-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]phenyl]acetamide Traditional Name: N-[4-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]phenyl]acetamide Formula: C23H20FNO3S MolecularWeight: 409.473203

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC2=C3C(=CC(=C2)F)CO[C@@H](O3)C4=CC=CC=C4

InChI

InChI=1S/C23H20FNO3S/c1-15(26)25-20-7-9-21(10-8-20)29-14-18-12-19(24)11-17-13-27-23(28-22(17)18)16-5-3-2-4-6-16/h2-12,23H,13-14H2,1H3,(H,25,26)/t23-/m0/s1