ethyl 4-[(4Z)-5-oxidanylidene-4-(thiophen-2-ylmethylidene)-3-(trifluoromethyl)pyrazol-1-yl]benzoate

Systemtic Name: ethyl 4-[(4Z)-5-oxidanylidene-4-(thiophen-2-ylmethylidene)-3-(trifluoromethyl)pyrazol-1-yl]benzoate Openeye Name: ethyl 4-[(4Z)-5-oxo-4-(2-thienylmethylene)-3-(trifluoromethyl)pyrazol-1-yl]benzoate CAS Name: 4-[(4Z)-5-oxo-4-(thiophen-2-ylmethylidene)-3-(trifluoromethyl)-1-pyrazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4Z)-5-oxo-4-(thiophen-2-ylmethylidene)-3-(trifluoromethyl)pyrazol-1-yl]benzoate Traditional Name: 4-[(4Z)-5-keto-4-(2-thenylidene)-3-(trifluoromethyl)-2-pyrazolin-1-yl]benzoic acid ethyl ester Formula: C18H13F3N2O3S MolecularWeight: 394.36763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CS3)C(=N2)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=CS3)/C(=N2)C(F)(F)F

InChI

InChI=1S/C18H13F3N2O3S/c1-2-26-17(25)11-5-7-12(8-6-11)23-16(24)14(10-13-4-3-9-27-13)15(22-23)18(19,20)21/h3-10H,2H2,1H3/b14-10-