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

Systemtic Name: methyl 5-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]methyl]furan-2-carboxylic acid methyl ester Formula: C22H19FO5S MolecularWeight: 414.446663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSCC2=C3C(=CC(=C2)F)CO[C@@H](O3)C4=CC=CC=C4

InChI

InChI=1S/C22H19FO5S/c1-25-21(24)19-8-7-18(27-19)13-29-12-16-10-17(23)9-15-11-26-22(28-20(15)16)14-5-3-2-4-6-14/h2-10,22H,11-13H2,1H3/t22-/m0/s1