ethyl 1-[4-(2-thiophen-3-ylethylcarbamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-(2-thiophen-3-ylethylcarbamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[2-(3-thienyl)ethylcarbamoyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-[4-[oxo-[2-(3-thiophenyl)ethylamino]methyl]phenyl]-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(2-thiophen-3-ylethylcarbamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-[4-[2-(3-thienyl)ethylcarbamoyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C20H18F3N3O3S MolecularWeight: 437.43543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCC3=CSC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCC3=CSC=C3)C(F)(F)F

InChI

InChI=1S/C20H18F3N3O3S/c1-2-29-19(28)16-11-25-26(17(16)20(21,22)23)15-5-3-14(4-6-15)18(27)24-9-7-13-8-10-30-12-13/h3-6,8,10-12H,2,7,9H2,1H3,(H,24,27)