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

Systemtic Name: ethyl 5-ethanoyl-4-methyl-2-[2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-4-methyl-2-[[2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-acetyl-4-methyl-2-[[2-[5-methyl-4-nitro-3-(trifluoromethyl)-1-pyrazolyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-4-methyl-2-[[2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-acetyl-4-methyl-2-[[2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C17H17F3N4O6S MolecularWeight: 462.40029

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17F3N4O6S/c1-5-30-16(27)11-7(2)13(9(4)25)31-15(11)21-10(26)6-23-8(3)12(24(28)29)14(22-23)17(18,19)20/h5-6H2,1-4H3,(H,21,26)