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

Systemtic Name: ethyl 5-aminocarbonyl-2-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[3-(4-bromo-3-nitro-1-pyrazolyl)-1-oxopropyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-bromo-3-nitropyrazol-1-yl)propanoylamino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C15H16BrN5O6S MolecularWeight: 474.28644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br

InChI

InChI=1S/C15H16BrN5O6S/c1-3-27-15(24)10-7(2)11(12(17)23)28-14(10)18-9(22)4-5-20-6-8(16)13(19-20)21(25)26/h6H,3-5H2,1-2H3,(H2,17,23)(H,18,22)