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

Systemtic Name: diethyl 5-[2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H21BrF3N3O5S MolecularWeight: 540.35135

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrF3N3O5S/c1-6-30-17(28)11-8(3)13(18(29)31-7-2)32-16(11)24-15(27)10(5)26-9(4)12(20)14(25-26)19(21,22)23/h10H,6-7H2,1-5H3,(H,24,27)