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

Systemtic Name: [7-(4-chlorophenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 3-methyl-1-benzofuran-2-carboxylate Openeye Name: [7-(4-chlorophenyl)-2-oxo-1,3-benzoxathiol-5-yl] 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid [7-(4-chlorophenyl)-2-oxo-1,3-benzoxathiol-5-yl] ester IUPAC Name: [7-(4-chlorophenyl)-2-oxo-1,3-benzoxathiol-5-yl] 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid [7-(4-chlorophenyl)-2-keto-1,3-benzoxathiol-5-yl] ester Formula: C23H13ClO5S MolecularWeight: 436.86432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OC3=CC4=C(C(=C3)C5=CC=C(C=C5)Cl)OC(=O)S4

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OC3=CC4=C(C(=C3)C5=CC=C(C=C5)Cl)OC(=O)S4

InChI

InChI=1S/C23H13ClO5S/c1-12-16-4-2-3-5-18(16)28-20(12)22(25)27-15-10-17(13-6-8-14(24)9-7-13)21-19(11-15)30-23(26)29-21/h2-11H,1H3