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

Systemtic Name: ethyl 2-[2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-1-oxopropyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)propanoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C16H19BrN4O5S MolecularWeight: 459.31486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(C)N2C(=C(C(=N2)[N+](=O)[O-])Br)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(C)N2C(=C(C(=N2)[N+](=O)[O-])Br)C

InChI

InChI=1S/C16H19BrN4O5S/c1-6-26-16(23)11-7(2)10(5)27-15(11)18-14(22)9(4)20-8(3)12(17)13(19-20)21(24)25/h9H,6H2,1-5H3,(H,18,22)