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

Systemtic Name: [7-(4-methoxyphenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 3,5-dimethyl-1-benzofuran-2-carboxylate Openeye Name: [7-(4-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] 3,5-dimethylbenzofuran-2-carboxylate CAS Name: 3,5-dimethyl-2-benzofurancarboxylic acid [7-(4-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] ester IUPAC Name: [7-(4-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] 3,5-dimethyl-1-benzofuran-2-carboxylate Traditional Name: 3,5-dimethylcoumarilic acid [2-keto-7-(4-methoxyphenyl)-1,3-benzoxathiol-5-yl] ester Formula: C25H18O6S MolecularWeight: 446.47182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C2C)C(=O)OC3=CC4=C(C(=C3)C5=CC=C(C=C5)OC)OC(=O)S4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C2C)C(=O)OC3=CC4=C(C(=C3)C5=CC=C(C=C5)OC)OC(=O)S4

InChI

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