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

Systemtic Name: diethyl 5-[(4-bromanyl-1-ethyl-pyrazol-3-yl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(4-bromo-1-ethyl-pyrazole-3-carbonyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(4-bromo-1-ethyl-3-pyrazolyl)-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(4-bromo-1-ethylpyrazole-3-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(4-bromo-1-ethyl-pyrazole-3-carbonyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C17H20BrN3O5S MolecularWeight: 458.3268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20BrN3O5S/c1-5-21-8-10(18)12(20-21)14(22)19-15-11(16(23)25-6-2)9(4)13(27-15)17(24)26-7-3/h8H,5-7H2,1-4H3,(H,19,22)