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

Systemtic Name: ethyl 2-[2-(4-bromanyl-5-methyl-pyrazol-1-yl)propanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[2-(4-bromo-5-methyl-pyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[2-(4-bromo-5-methyl-1-pyrazolyl)-1-oxopropyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[2-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[2-(4-bromo-5-methyl-pyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H20BrN3O4S MolecularWeight: 442.3274

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C17H20BrN3O4S/c1-6-25-17(24)13-8(2)14(11(5)22)26-16(13)20-15(23)10(4)21-9(3)12(18)7-19-21/h7,10H,6H2,1-5H3,(H,20,23)