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

Systemtic Name: ethyl 5-ethanoyl-4-methyl-2-[2-(3-nitropyrazol-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-acetyl-4-methyl-2-[[2-(3-nitro-1-pyrazolyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-acetyl-4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C15H16N4O6S MolecularWeight: 380.37574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CN2C=CC(=N2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CN2C=CC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O6S/c1-4-25-15(22)12-8(2)13(9(3)20)26-14(12)16-11(21)7-18-6-5-10(17-18)19(23)24/h5-6H,4,7H2,1-3H3,(H,16,21)