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

Systemtic Name: ethyl 2-[3-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxopropyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H21BrF3N3O3S MolecularWeight: 508.35255

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCN2C(=C(C(=N2)C(F)(F)F)Br)C3CC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCN2C(=C(C(=N2)C(F)(F)F)Br)C3CC3

InChI

InChI=1S/C19H21BrF3N3O3S/c1-4-29-18(28)13-9(2)10(3)30-17(13)24-12(27)7-8-26-15(11-5-6-11)14(20)16(25-26)19(21,22)23/h11H,4-8H2,1-3H3,(H,24,27)