[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: [(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic 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 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester Formula: C24H18FNO5S MolecularWeight: 451.466823

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)COC(=O)CSC4=NC5=CC=CC=C5O4)F

Isomeric SMILES

C1C2=CC(=CC(=C2O[C@H](O1)C3=CC=CC=C3)COC(=O)CSC4=NC5=CC=CC=C5O4)F

InChI

InChI=1S/C24H18FNO5S/c25-18-10-16(22-17(11-18)13-29-23(31-22)15-6-2-1-3-7-15)12-28-21(27)14-32-24-26-19-8-4-5-9-20(19)30-24/h1-11,23H,12-14H2/t23-/m0/s1