(2-methoxy-4-methoxycarbonyl-phenyl) 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: (2-methoxy-4-methoxycarbonyl-phenyl) 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: (2-methoxy-4-methoxycarbonyl-phenyl) 3-(methylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(methylthio)methyl]-2-benzofurancarboxylic acid (2-methoxy-4-methoxycarbonylphenyl) ester IUPAC Name: (2-methoxy-4-methoxycarbonylphenyl) 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(methylthio)methyl]coumarilic acid (4-carbomethoxy-2-methoxy-phenyl) ester Formula: C20H18O6S MolecularWeight: 386.41832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18O6S/c1-23-17-10-12(19(21)24-2)8-9-16(17)26-20(22)18-14(11-27-3)13-6-4-5-7-15(13)25-18/h4-10H,11H2,1-3H3