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

Systemtic Name: [7-(4-methylphenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 3,6-dimethyl-1-benzofuran-2-carboxylate Openeye Name: [2-oxo-7-(p-tolyl)-1,3-benzoxathiol-5-yl] 3,6-dimethylbenzofuran-2-carboxylate CAS Name: 3,6-dimethyl-2-benzofurancarboxylic acid [7-(4-methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl] ester IUPAC Name: [7-(4-methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl] 3,6-dimethyl-1-benzofuran-2-carboxylate Traditional Name: 3,6-dimethylcoumarilic acid [2-keto-7-(p-tolyl)-1,3-benzoxathiol-5-yl] ester Formula: C25H18O5S MolecularWeight: 430.47242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C25H18O5S/c1-13-4-7-16(8-5-13)19-11-17(12-21-23(19)30-25(27)31-21)28-24(26)22-15(3)18-9-6-14(2)10-20(18)29-22/h4-12H,1-3H3