4-(1-benzofuran-2-yl)-2-ethyl-2-methyl-5-(4-methylsulfonylphenyl)furan-3-one

Systemtic Name: 4-(1-benzofuran-2-yl)-2-ethyl-2-methyl-5-(4-methylsulfonylphenyl)furan-3-one Openeye Name: 4-(benzofuran-2-yl)-2-ethyl-2-methyl-5-(4-methylsulfonylphenyl)furan-3-one CAS Name: 4-(2-benzofuranyl)-2-ethyl-2-methyl-5-(4-methylsulfonylphenyl)-3-furanone IUPAC Name: 4-(1-benzofuran-2-yl)-2-ethyl-2-methyl-5-(4-methylsulfonylphenyl)furan-3-one Traditional Name: 4-(benzofuran-2-yl)-2-ethyl-5-(4-mesylphenyl)-2-methyl-furan-3-one Formula: C22H20O5S MolecularWeight: 396.4562

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)C(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC4=CC=CC=C4O3)C

Isomeric SMILES

CCC1(C(=O)C(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC4=CC=CC=C4O3)C

InChI

InChI=1S/C22H20O5S/c1-4-22(2)21(23)19(18-13-15-7-5-6-8-17(15)26-18)20(27-22)14-9-11-16(12-10-14)28(3,24)25/h5-13H,4H2,1-3H3