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

Systemtic Name: ethyl 2-[(4-bromanyl-1-ethyl-pyrazol-3-yl)carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-bromo-1-ethyl-pyrazole-3-carbonyl)amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(4-bromo-1-ethyl-3-pyrazolyl)-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromo-1-ethylpyrazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[(4-bromo-1-ethyl-pyrazole-3-carbonyl)amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C15H18BrN3O3S MolecularWeight: 400.29072

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=C(C(=C(S2)C)C)C(=O)OCC)Br

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=C(C(=C(S2)C)C)C(=O)OCC)Br

InChI

InChI=1S/C15H18BrN3O3S/c1-5-19-7-10(16)12(18-19)13(20)17-14-11(15(21)22-6-2)8(3)9(4)23-14/h7H,5-6H2,1-4H3,(H,17,20)