methyl 4,5-dimethoxy-2-[[3-(methylsulfanylmethyl)-1-benzofuran-2-yl]carbonylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[[3-(methylsulfanylmethyl)-1-benzofuran-2-yl]carbonylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[[3-(methylsulfanylmethyl)benzofuran-2-carbonyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[[[3-[(methylthio)methyl]-2-benzofuranyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[[3-(methylsulfanylmethyl)-1-benzofuran-2-carbonyl]amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[3-[(methylthio)methyl]benzofuran-2-carbonyl]amino]benzoic acid methyl ester Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO6S/c1-25-17-9-13(21(24)27-3)15(10-18(17)26-2)22-20(23)19-14(11-29-4)12-7-5-6-8-16(12)28-19/h5-10H,11H2,1-4H3,(H,22,23)