methyl 4-ethyl-5-methyl-2-[[(3-methyl-1-benzofuran-2-yl)carbonylamino]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-5-methyl-2-[[(3-methyl-1-benzofuran-2-yl)carbonylamino]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-[[(3-methylbenzofuran-2-carbonyl)amino]carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[[[(3-methyl-2-benzofuranyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[[(3-methylbenzofuran-2-carbonyl)amino]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3O2)C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3O2)C)C

InChI

InChI=1S/C20H21N3O4S2/c1-5-12-11(3)29-18(15(12)19(25)26-4)21-20(28)23-22-17(24)16-10(2)13-8-6-7-9-14(13)27-16/h6-9H,5H2,1-4H3,(H,22,24)(H2,21,23,28)