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

Systemtic Name: (6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic 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 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C26H22FNO4S MolecularWeight: 463.520583

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)COC(=O)CCCC4=NC5=CC=CC=C5S4)F

Isomeric SMILES

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)COC(=O)CCCC4=NC5=CC=CC=C5S4)F

InChI

InChI=1S/C26H22FNO4S/c27-20-13-18(25-19(14-20)16-31-26(32-25)17-7-2-1-3-8-17)15-30-24(29)12-6-11-23-28-21-9-4-5-10-22(21)33-23/h1-5,7-10,13-14,26H,6,11-12,15-16H2