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

Systemtic Name: methyl 2-[(4-bromanyl-1,5-dimethyl-pyrazol-3-yl)carbonylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-bromo-1,5-dimethyl-pyrazole-3-carbonyl)amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(4-bromo-1,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-bromo-1,5-dimethylpyrazole-3-carbonyl)amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(4-bromo-1,5-dimethyl-pyrazole-3-carbonyl)amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C13H14BrN3O3S MolecularWeight: 372.23756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C2=NN(C(=C2Br)C)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C2=NN(C(=C2Br)C)C)C(=O)OC

InChI

InChI=1S/C13H14BrN3O3S/c1-6-5-8(13(19)20-4)12(21-6)15-11(18)10-9(14)7(2)17(3)16-10/h5H,1-4H3,(H,15,18)