diethyl 5-[[1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazol-3-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazol-3-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[1-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-3-pyrazolyl]-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H24BrN5O5S MolecularWeight: 538.41476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=NN(C=C2)CN3C(=C(C(=N3)C)Br)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=NN(C=C2)CN3C(=C(C(=N3)C)Br)C

InChI

InChI=1S/C21H24BrN5O5S/c1-6-31-20(29)15-11(3)17(21(30)32-7-2)33-19(15)23-18(28)14-8-9-26(25-14)10-27-13(5)16(22)12(4)24-27/h8-9H,6-7,10H2,1-5H3,(H,23,28)