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

Systemtic Name: ethyl 2-[4-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[4-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-1-oxobutyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-bromo-5-methyl-3-nitropyrazol-1-yl)butanoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H21BrN4O5S MolecularWeight: 473.34144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCCN2C(=C(C(=N2)[N+](=O)[O-])Br)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCCN2C(=C(C(=N2)[N+](=O)[O-])Br)C

InChI

InChI=1S/C17H21BrN4O5S/c1-5-27-17(24)13-9(2)11(4)28-16(13)19-12(23)7-6-8-21-10(3)14(18)15(20-21)22(25)26/h5-8H2,1-4H3,(H,19,23)