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

Systemtic Name: methyl 2-[(4-bromanyl-1-methyl-pyrazol-3-yl)carbonylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-bromo-1-methyl-pyrazole-3-carbonyl)amino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(4-bromo-1-methyl-3-pyrazolyl)-oxomethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[(4-bromo-1-methyl-pyrazole-3-carbonyl)amino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H21BrN4O4S MolecularWeight: 457.34204

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=NN(C=C2Br)C)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=NN(C=C2Br)C)C(=O)OC)C

InChI

InChI=1S/C17H21BrN4O4S/c1-6-22(7-2)16(24)13-9(3)11(17(25)26-5)15(27-13)19-14(23)12-10(18)8-21(4)20-12/h8H,6-7H2,1-5H3,(H,19,23)