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

Systemtic Name: dimethyl 5-[(4-bromanyl-1H-pyrazol-5-yl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[(4-bromo-1H-pyrazole-5-carbonyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(4-bromo-1H-pyrazol-5-yl)-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-bromo-1H-pyrazole-5-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(4-bromo-1H-pyrazole-5-carbonyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C13H12BrN3O5S MolecularWeight: 402.22048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=C(C=NN2)Br)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=C(C=NN2)Br)C(=O)OC

InChI

InChI=1S/C13H12BrN3O5S/c1-5-7(12(19)21-2)11(23-9(5)13(20)22-3)16-10(18)8-6(14)4-15-17-8/h4H,1-3H3,(H,15,17)(H,16,18)