[2-[(E)-3-(1-benzofuran-2-yl)-3-oxidanylidene-prop-1-enyl]phenyl] 3-(methylsulfonylmethyl)benzoate

Systemtic Name: [2-[(E)-3-(1-benzofuran-2-yl)-3-oxidanylidene-prop-1-enyl]phenyl] 3-(methylsulfonylmethyl)benzoate Openeye Name: [2-[(E)-3-(benzofuran-2-yl)-3-oxo-prop-1-enyl]phenyl] 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [2-[(E)-3-(2-benzofuranyl)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-[(E)-3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl] 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid [2-[(E)-3-(benzofuran-2-yl)-3-keto-prop-1-enyl]phenyl] ester Formula: C26H20O6S MolecularWeight: 460.4984

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OC2=CC=CC=C2C=CC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OC2=CC=CC=C2/C=C/C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C26H20O6S/c1-33(29,30)17-18-7-6-10-21(15-18)26(28)32-23-11-4-2-8-19(23)13-14-22(27)25-16-20-9-3-5-12-24(20)31-25/h2-16H,17H2,1H3/b14-13+