(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2-quinoxalin-2-ylsulfanylethanoate

Systemtic Name: (6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C25H19FN2O4S MolecularWeight: 462.492763

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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=C5N=C4)F

Isomeric SMILES

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)COC(=O)CSC4=NC5=CC=CC=C5N=C4)F

InChI

InChI=1S/C25H19FN2O4S/c26-19-10-17(24-18(11-19)14-31-25(32-24)16-6-2-1-3-7-16)13-30-23(29)15-33-22-12-27-20-8-4-5-9-21(20)28-22/h1-12,25H,13-15H2