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

Systemtic Name: methyl 2-[3-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[3-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxopropyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C15H15BrF3N3O3S MolecularWeight: 454.26211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)CCN2C(=C(C(=N2)C(F)(F)F)Br)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)CCN2C(=C(C(=N2)C(F)(F)F)Br)C)C(=O)OC

InChI

InChI=1S/C15H15BrF3N3O3S/c1-7-6-9(14(24)25-3)13(26-7)20-10(23)4-5-22-8(2)11(16)12(21-22)15(17,18)19/h6H,4-5H2,1-3H3,(H,20,23)