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

Systemtic Name: ethyl 1-[3-(thiophen-3-ylcarbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-[3-(thiophene-3-carbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-[3-[[oxo(3-thiophenyl)methyl]amino]phenyl]-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(thiophene-3-carbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-[3-(3-thenoylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C18H14F3N3O3S MolecularWeight: 409.38227

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14F3N3O3S/c1-2-27-17(26)14-9-22-24(15(14)18(19,20)21)13-5-3-4-12(8-13)23-16(25)11-6-7-28-10-11/h3-10H,2H2,1H3,(H,23,25)