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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C(=O)C)C)C(=O)OCC)N2C=C(C=N2)Br

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C(=O)C)C)C(=O)OCC)N2C=C(C=N2)Br

InChI

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