(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: (6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-acetamido-4,5-dimethyl-3-thiophenecarboxylic 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-acetamido-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-acetamido-4,5-dimethyl-thiophene-3-carboxylic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C24H22FNO5S MolecularWeight: 455.498583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4)NC(=O)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4)NC(=O)C)C

InChI

InChI=1S/C24H22FNO5S/c1-13-14(2)32-22(26-15(3)27)20(13)23(28)29-11-17-9-19(25)10-18-12-30-24(31-21(17)18)16-7-5-4-6-8-16/h4-10,24H,11-12H2,1-3H3,(H,26,27)