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

Systemtic Name: ethyl 2-[2-(4-bromanylpyrazol-1-yl)propanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[2-(4-bromopyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[2-(4-bromo-1-pyrazolyl)-1-oxopropyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[2-(4-bromopyrazol-1-yl)propanoylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[2-(4-bromopyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C16H18BrN3O4S MolecularWeight: 428.30082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrN3O4S/c1-5-24-16(23)12-8(2)13(10(4)21)25-15(12)19-14(22)9(3)20-7-11(17)6-18-20/h6-7,9H,5H2,1-4H3,(H,19,22)