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

Systemtic Name: propyl 5-aminocarbonyl-4-methyl-2-[2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: propyl 5-carbamoyl-4-methyl-2-[[2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[2-[5-methyl-4-nitro-3-(trifluoromethyl)-1-pyrazolyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 5-carbamoyl-4-methyl-2-[[2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[[2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thiophene-3-carboxylic acid propyl ester Formula: C17H18F3N5O6S MolecularWeight: 477.41493

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18F3N5O6S/c1-4-5-31-16(28)10-7(2)12(14(21)27)32-15(10)22-9(26)6-24-8(3)11(25(29)30)13(23-24)17(18,19)20/h4-6H2,1-3H3,(H2,21,27)(H,22,26)