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

Systemtic Name: methyl 2-[(4-bromanyl-1-methyl-pyrazol-3-yl)carbonylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-bromo-1-methyl-pyrazole-3-carbonyl)amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(4-bromo-1-methyl-3-pyrazolyl)-oxomethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(4-bromo-1-methyl-pyrazole-3-carbonyl)amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C12H12BrN3O3S MolecularWeight: 358.21098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12BrN3O3S/c1-6-4-7(12(18)19-3)11(20-6)14-10(17)9-8(13)5-16(2)15-9/h4-5H,1-3H3,(H,14,17)