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

Systemtic Name: ethyl 2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C16H20N4O5S MolecularWeight: 380.4188

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)C(=O)OCC

InChI

InChI=1S/C16H20N4O5S/c1-5-11-7-12(16(22)25-6-2)15(26-11)17-13(21)8-19-10(4)14(20(23)24)9(3)18-19/h7H,5-6,8H2,1-4H3,(H,17,21)