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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CCN2C=C(C=N2)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CCN2C=C(C=N2)Br

InChI

InChI=1S/C16H18BrN3O4S/c1-4-24-16(23)13-9(2)14(10(3)21)25-15(13)19-12(22)5-6-20-8-11(17)7-18-20/h7-8H,4-6H2,1-3H3,(H,19,22)