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

Systemtic Name: ethyl 4,5-dimethyl-2-[3-(4-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[3-(4-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[3-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[3-(4-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[3-(4-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C15H18N4O5S MolecularWeight: 366.39222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O5S/c1-4-24-15(21)13-9(2)10(3)25-14(13)17-12(20)5-6-18-8-11(7-16-18)19(22)23/h7-8H,4-6H2,1-3H3,(H,17,20)