diethyl 5-[(4-bromanyl-2-methyl-pyrazol-3-yl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[(4-bromanyl-2-methyl-pyrazol-3-yl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(4-bromo-2-methyl-pyrazole-3-carbonyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(4-bromo-2-methyl-3-pyrazolyl)-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(4-bromo-2-methylpyrazole-3-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(4-bromo-2-methyl-pyrazole-3-carbonyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C16H18BrN3O5S MolecularWeight: 444.30022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=C(C=NN2C)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=C(C=NN2C)Br

InChI

InChI=1S/C16H18BrN3O5S/c1-5-24-15(22)10-8(3)12(16(23)25-6-2)26-14(10)19-13(21)11-9(17)7-18-20(11)4/h7H,5-6H2,1-4H3,(H,19,21)