methyl 2-(1-benzofuran-2-ylcarbonylcarbamothioylamino)-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-(1-benzofuran-2-ylcarbonylcarbamothioylamino)-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-(benzofuran-2-carbonylcarbamothioylamino)-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[[[2-benzofuranyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-(1-benzofuran-2-carbonylcarbamothioylamino)-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(benzofuran-2-carbonylthiocarbamoylamino)-4-methyl-thiazole-5-carboxylic acid methyl ester Formula: C16H13N3O4S2 MolecularWeight: 375.42212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2)C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2)C(=O)OC

InChI

InChI=1S/C16H13N3O4S2/c1-8-12(14(21)22-2)25-16(17-8)19-15(24)18-13(20)11-7-9-5-3-4-6-10(9)23-11/h3-7H,1-2H3,(H2,17,18,19,20,24)