methyl 2-(1-benzofuran-2-ylcarbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(1-benzofuran-2-ylcarbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(benzofuran-2-carbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[2-benzofuranyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(1-benzofuran-2-carbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(benzofuran-2-carbonylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C19H13N3O4S2 MolecularWeight: 411.45422

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C19H13N3O4S2/c1-25-17(24)11-6-7-12-15(9-11)28-19(20-12)22-18(27)21-16(23)14-8-10-4-2-3-5-13(10)26-14/h2-9H,1H3,(H2,20,21,22,23,27)