ethyl 5-aminocarbonyl-2-[(4-bromanyl-1H-pyrazol-5-yl)carbonylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-aminocarbonyl-2-[(4-bromanyl-1H-pyrazol-5-yl)carbonylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-bromo-1H-pyrazole-5-carbonyl)amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(4-bromo-1H-pyrazol-5-yl)-oxomethyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromo-1H-pyrazole-5-carbonyl)amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[(4-bromo-1H-pyrazole-5-carbonyl)amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C13H13BrN4O4S MolecularWeight: 401.23572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C2=C(C=NN2)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C2=C(C=NN2)Br

InChI

InChI=1S/C13H13BrN4O4S/c1-3-22-13(21)7-5(2)9(10(15)19)23-12(7)17-11(20)8-6(14)4-16-18-8/h4H,3H2,1-2H3,(H2,15,19)(H,16,18)(H,17,20)