[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl (E)-3-thiophen-3-ylprop-2-enoate

Systemtic Name: [(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl (E)-3-thiophen-3-ylprop-2-enoate Openeye Name: [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl (E)-3-(3-thienyl)prop-2-enoate CAS Name: (E)-3-(3-thiophenyl)-2-propenoic acid [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester IUPAC Name: [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl (E)-3-thiophen-3-ylprop-2-enoate Traditional Name: (E)-3-(3-thienyl)acrylic acid [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester Formula: C22H17FO4S MolecularWeight: 396.431383

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)COC(=O)C=CC4=CSC=C4)F

Isomeric SMILES

C1C2=CC(=CC(=C2O[C@H](O1)C3=CC=CC=C3)COC(=O)/C=C/C4=CSC=C4)F

InChI

InChI=1S/C22H17FO4S/c23-19-10-17(12-25-20(24)7-6-15-8-9-28-14-15)21-18(11-19)13-26-22(27-21)16-4-2-1-3-5-16/h1-11,14,22H,12-13H2/b7-6+/t22-/m0/s1