dimethyl 5-(1-benzofuran-2-ylcarbonylcarbamothioylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(1-benzofuran-2-ylcarbonylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(benzofuran-2-carbonylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[[[2-benzofuranyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(1-benzofuran-2-carbonylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(benzofuran-2-carbonylthiocarbamoylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H16N2O6S MolecularWeight: 412.41584

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2)C(=O)OC

InChI

InChI=1S/C20H16N2O6S/c1-26-18(24)12-7-13(19(25)27-2)9-14(8-12)21-20(29)22-17(23)16-10-11-5-3-4-6-15(11)28-16/h3-10H,1-2H3,(H2,21,22,23,29)