ethyl 5-(5-ethoxycarbonylthiophen-2-yl)-3-(trifluoromethyl)pyrazole-1-carboxylate

Systemtic Name: ethyl 5-(5-ethoxycarbonylthiophen-2-yl)-3-(trifluoromethyl)pyrazole-1-carboxylate Openeye Name: ethyl 5-(5-ethoxycarbonyl-2-thienyl)-3-(trifluoromethyl)pyrazole-1-carboxylate CAS Name: 5-(5-ethoxycarbonyl-2-thiophenyl)-3-(trifluoromethyl)-1-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(5-ethoxycarbonylthiophen-2-yl)-3-(trifluoromethyl)pyrazole-1-carboxylate Traditional Name: 5-(5-carbethoxy-2-thienyl)-3-(trifluoromethyl)pyrazole-1-carboxylic acid ethyl ester Formula: C14H13F3N2O4S MolecularWeight: 362.32423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(S1)C2=CC(=NN2C(=O)OCC)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC=C(S1)C2=CC(=NN2C(=O)OCC)C(F)(F)F

InChI

InChI=1S/C14H13F3N2O4S/c1-3-22-12(20)10-6-5-9(24-10)8-7-11(14(15,16)17)18-19(8)13(21)23-4-2/h5-7H,3-4H2,1-2H3