ethyl 5-aminocarbonyl-2-[2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-aminocarbonyl-2-[2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxopropyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H18BrF3N4O4S MolecularWeight: 511.31343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C(C)N2C(=C(C(=N2)C(F)(F)F)Br)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C(C)N2C(=C(C(=N2)C(F)(F)F)Br)C

InChI

InChI=1S/C17H18BrF3N4O4S/c1-5-29-16(28)9-6(2)11(13(22)26)30-15(9)23-14(27)8(4)25-7(3)10(18)12(24-25)17(19,20)21/h8H,5H2,1-4H3,(H2,22,26)(H,23,27)