dimethyl 5-[[3-(methylsulfanylmethyl)-1-benzofuran-2-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[3-(methylsulfanylmethyl)-1-benzofuran-2-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[3-(methylsulfanylmethyl)benzofuran-2-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[3-[(methylthio)methyl]-2-benzofuranyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[3-(methylsulfanylmethyl)-1-benzofuran-2-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[3-[(methylthio)methyl]benzofuran-2-carbonyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H19NO6S MolecularWeight: 413.44366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO6S/c1-26-20(24)12-8-13(21(25)27-2)10-14(9-12)22-19(23)18-16(11-29-3)15-6-4-5-7-17(15)28-18/h4-10H,11H2,1-3H3,(H,22,23)