4-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanylmethyl]-3,5-dimethyl-1,2-oxazole

Systemtic Name: 4-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanylmethyl]-3,5-dimethyl-1,2-oxazole Openeye Name: 4-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanylmethyl]-3,5-dimethyl-isoxazole CAS Name: 4-[[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]methyl]-3,5-dimethylisoxazole IUPAC Name: 4-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanylmethyl]-3,5-dimethyl-1,2-oxazole Traditional Name: 4-[[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]methyl]-3,5-dimethyl-isoxazole Formula: C21H20FNO3S MolecularWeight: 385.451803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C)CSCC2=C3C(=CC(=C2)F)CO[C@@H](O3)C4=CC=CC=C4

InChI

InChI=1S/C21H20FNO3S/c1-13-19(14(2)26-23-13)12-27-11-17-9-18(22)8-16-10-24-21(25-20(16)17)15-6-4-3-5-7-15/h3-9,21H,10-12H2,1-2H3/t21-/m0/s1