ethyl 5-aminocarbonyl-2-[2-(4-bromanylpyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-aminocarbonyl-2-[2-(4-bromanylpyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(4-bromopyrazol-1-yl)propanoylamino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-1-pyrazolyl)-1-oxopropyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-bromopyrazol-1-yl)propanoylamino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[2-(4-bromopyrazol-1-yl)propanoylamino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C15H17BrN4O4S MolecularWeight: 429.28888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C(C)N2C=C(C=N2)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C(C)N2C=C(C=N2)Br

InChI

InChI=1S/C15H17BrN4O4S/c1-4-24-15(23)10-7(2)11(12(17)21)25-14(10)19-13(22)8(3)20-6-9(16)5-18-20/h5-6,8H,4H2,1-3H3,(H2,17,21)(H,19,22)