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

Systemtic Name: [7-(4-ethoxyphenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 3-methyl-1-benzofuran-2-carboxylate Openeye Name: [7-(4-ethoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] 3-methylbenzofuran-2-carboxylate CAS Name: 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] 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid (2-keto-7-p-phenetyl-1,3-benzoxathiol-5-yl) ester Formula: C25H18O6S MolecularWeight: 446.47182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=C(C5=CC=CC=C5O4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=C(C5=CC=CC=C5O4)C

InChI

InChI=1S/C25H18O6S/c1-3-28-16-10-8-15(9-11-16)19-12-17(13-21-23(19)31-25(27)32-21)29-24(26)22-14(2)18-6-4-5-7-20(18)30-22/h4-13H,3H2,1-2H3