[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 3-(methylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(methylthio)methyl]-2-benzofurancarboxylic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(methylthio)methyl]coumarilic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C21H20O6S MolecularWeight: 400.4449

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=C(C3=CC=CC=C3O2)CSC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=C(C3=CC=CC=C3O2)CSC)OC

InChI

InChI=1S/C21H20O6S/c1-24-18-9-8-13(10-19(18)25-2)16(22)11-26-21(23)20-15(12-28-3)14-6-4-5-7-17(14)27-20/h4-10H,11-12H2,1-3H3