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

Systemtic Name: ethyl 5-aminocarbonyl-2-[2-(4-bromanylpyrazol-1-yl)butanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(4-bromopyrazol-1-yl)butanoylamino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-1-pyrazolyl)-1-oxobutyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-bromopyrazol-1-yl)butanoylamino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[2-(4-bromopyrazol-1-yl)butanoylamino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C16H19BrN4O4S MolecularWeight: 443.31546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN4O4S/c1-4-10(21-7-9(17)6-19-21)14(23)20-15-11(16(24)25-5-2)8(3)12(26-15)13(18)22/h6-7,10H,4-5H2,1-3H3,(H2,18,22)(H,20,23)