[7-(4-ethoxyphenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 5-fluoranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [7-(4-ethoxyphenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 5-fluoranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [7-(4-ethoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] 5-fluoro-3-methyl-benzofuran-2-carboxylate CAS Name: 5-fluoro-3-methyl-2-benzofurancarboxylic acid [7-(4-ethoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] ester IUPAC Name: [7-(4-ethoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-fluoro-3-methyl-coumarilic acid (2-keto-7-p-phenetyl-1,3-benzoxathiol-5-yl) ester Formula: C25H17FO6S MolecularWeight: 464.462283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=C(C5=C(O4)C=CC(=C5)F)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=C(C5=C(O4)C=CC(=C5)F)C

InChI

InChI=1S/C25H17FO6S/c1-3-29-16-7-4-14(5-8-16)19-11-17(12-21-23(19)32-25(28)33-21)30-24(27)22-13(2)18-10-15(26)6-9-20(18)31-22/h4-12H,3H2,1-2H3