ethyl 5-[3-(methylsulfonylmethyl)phenyl]carbonyloxy-2-phenyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-[3-(methylsulfonylmethyl)phenyl]carbonyloxy-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[3-(methylsulfonylmethyl)benzoyl]oxy-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[[3-(methylsulfonylmethyl)phenyl]-oxomethoxy]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(methylsulfonylmethyl)benzoyl]oxy-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[3-(mesylmethyl)benzoyl]oxy-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C26H22O7S MolecularWeight: 478.51368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C3=CC(=CC=C3)CS(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C3=CC(=CC=C3)CS(=O)(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C26H22O7S/c1-3-31-26(28)23-21-15-20(12-13-22(21)33-24(23)18-9-5-4-6-10-18)32-25(27)19-11-7-8-17(14-19)16-34(2,29)30/h4-15H,3,16H2,1-2H3