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

Systemtic Name: ethyl 4,5-dimethyl-2-[2-(4-nitropyrazol-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-(4-nitro-1-pyrazolyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C14H16N4O5S MolecularWeight: 352.36564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O5S/c1-4-23-14(20)12-8(2)9(3)24-13(12)16-11(19)7-17-6-10(5-15-17)18(21)22/h5-6H,4,7H2,1-3H3,(H,16,19)