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

Systemtic Name: dimethyl 5-[3-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C19H19BrF3N3O5S MolecularWeight: 538.33547

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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)C3CC3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCN2C(=C(C(=N2)C(F)(F)F)Br)C3CC3)C(=O)OC

InChI

InChI=1S/C19H19BrF3N3O5S/c1-8-11(17(28)30-2)16(32-14(8)18(29)31-3)24-10(27)6-7-26-13(9-4-5-9)12(20)15(25-26)19(21,22)23/h9H,4-7H2,1-3H3,(H,24,27)