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

Systemtic Name: dimethyl 5-[3-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H17BrF3N3O5S MolecularWeight: 512.29819

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCN2C(=C(C(=N2)C(F)(F)F)Br)C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCN2C(=C(C(=N2)C(F)(F)F)Br)C)C(=O)OC

InChI

InChI=1S/C17H17BrF3N3O5S/c1-7-10(15(26)28-3)14(30-12(7)16(27)29-4)22-9(25)5-6-24-8(2)11(18)13(23-24)17(19,20)21/h5-6H2,1-4H3,(H,22,25)