O2-ethyl O4-methyl 5-[(4-bromanyl-1-ethyl-pyrazol-3-yl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-methyl 5-[(4-bromanyl-1-ethyl-pyrazol-3-yl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 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 O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 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 O2-ethyl ester O4-methyl ester Formula: C16H18BrN3O5S MolecularWeight: 444.30022

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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)OC)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrN3O5S/c1-5-20-7-9(17)11(19-20)13(21)18-14-10(15(22)24-4)8(3)12(26-14)16(23)25-6-2/h7H,5-6H2,1-4H3,(H,18,21)