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

Systemtic Name: ethyl 4,5-dimethyl-2-[2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-[5-methyl-4-nitro-3-(trifluoromethyl)-1-pyrazolyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C16H17F3N4O5S MolecularWeight: 434.39019

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17F3N4O5S/c1-5-28-15(25)11-7(2)9(4)29-14(11)20-10(24)6-22-8(3)12(23(26)27)13(21-22)16(17,18)19/h5-6H2,1-4H3,(H,20,24)