[7-(4-ethoxyphenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 3,6-dimethyl-1-benzofuran-2-carboxylate

Systemtic Name: [7-(4-ethoxyphenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 3,6-dimethyl-1-benzofuran-2-carboxylate Openeye Name: [7-(4-ethoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] 3,6-dimethylbenzofuran-2-carboxylate CAS Name: 3,6-dimethyl-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] 3,6-dimethyl-1-benzofuran-2-carboxylate Traditional Name: 3,6-dimethylcoumarilic acid (2-keto-7-p-phenetyl-1,3-benzoxathiol-5-yl) ester Formula: C26H20O6S MolecularWeight: 460.4984

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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=C(O4)C=C(C=C5)C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H20O6S/c1-4-29-17-8-6-16(7-9-17)20-12-18(13-22-24(20)32-26(28)33-22)30-25(27)23-15(3)19-10-5-14(2)11-21(19)31-23/h5-13H,4H2,1-3H3