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

Systemtic Name: (6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 1,3-benzothiazole-6-carboxylate Openeye Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic 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 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C23H16FNO4S MolecularWeight: 421.440843

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)COC(=O)C4=CC5=C(C=C4)N=CS5)F

Isomeric SMILES

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)COC(=O)C4=CC5=C(C=C4)N=CS5)F

InChI

InChI=1S/C23H16FNO4S/c24-18-8-16(11-27-22(26)15-6-7-19-20(10-15)30-13-25-19)21-17(9-18)12-28-23(29-21)14-4-2-1-3-5-14/h1-10,13,23H,11-12H2