[3,5-bis(fluoranyl)phenyl]methyl 5-(hydroxymethyl)-7-methoxy-2-thiophen-2-yl-1-benzofuran-3-carboxylate

Systemtic Name: [3,5-bis(fluoranyl)phenyl]methyl 5-(hydroxymethyl)-7-methoxy-2-thiophen-2-yl-1-benzofuran-3-carboxylate Openeye Name: (3,5-difluorophenyl)methyl 5-(hydroxymethyl)-7-methoxy-2-(2-thienyl)benzofuran-3-carboxylate CAS Name: 5-(hydroxymethyl)-7-methoxy-2-thiophen-2-yl-3-benzofurancarboxylic acid (3,5-difluorophenyl)methyl ester IUPAC Name: (3,5-difluorophenyl)methyl 5-(hydroxymethyl)-7-methoxy-2-thiophen-2-yl-1-benzofuran-3-carboxylate Traditional Name: 7-methoxy-5-methylol-2-(2-thienyl)benzofuran-3-carboxylic acid (3,5-difluorobenzyl) ester Formula: C22H16F2O5S MolecularWeight: 430.421246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)CO)C(=C(O2)C3=CC=CS3)C(=O)OCC4=CC(=CC(=C4)F)F

Isomeric SMILES

COC1=C2C(=CC(=C1)CO)C(=C(O2)C3=CC=CS3)C(=O)OCC4=CC(=CC(=C4)F)F

InChI

InChI=1S/C22H16F2O5S/c1-27-17-8-12(10-25)7-16-19(21(29-20(16)17)18-3-2-4-30-18)22(26)28-11-13-5-14(23)9-15(24)6-13/h2-9,25H,10-11H2,1H3