methyl 2-[(4Z)-1-(1,3-benzothiazol-2-yl)-5-oxidanylidene-4-[1-[[3-(trifluoromethyloxy)phenyl]amino]ethylidene]pyrazol-3-yl]ethanoate

Systemtic Name: methyl 2-[(4Z)-1-(1,3-benzothiazol-2-yl)-5-oxidanylidene-4-[1-[[3-(trifluoromethyloxy)phenyl]amino]ethylidene]pyrazol-3-yl]ethanoate Openeye Name: methyl 2-[(4Z)-1-(1,3-benzothiazol-2-yl)-5-oxo-4-[1-[3-(trifluoromethoxy)anilino]ethylidene]pyrazol-3-yl]acetate CAS Name: 2-[(4Z)-1-(1,3-benzothiazol-2-yl)-5-oxo-4-[1-[3-(trifluoromethoxy)anilino]ethylidene]-3-pyrazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[(4Z)-1-(1,3-benzothiazol-2-yl)-5-oxo-4-[1-[3-(trifluoromethoxy)anilino]ethylidene]pyrazol-3-yl]acetate Traditional Name: 2-[(4Z)-1-(1,3-benzothiazol-2-yl)-5-keto-4-[1-[3-(trifluoromethoxy)anilino]ethylidene]-2-pyrazolin-3-yl]acetic acid methyl ester Formula: C22H17F3N4O4S MolecularWeight: 490.45499

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CC(=O)OC)NC4=CC(=CC=C4)OC(F)(F)F

Isomeric SMILES

C/C(=C/1\C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CC(=O)OC)/NC4=CC(=CC=C4)OC(F)(F)F

InChI

InChI=1S/C22H17F3N4O4S/c1-12(26-13-6-5-7-14(10-13)33-22(23,24)25)19-16(11-18(30)32-2)28-29(20(19)31)21-27-15-8-3-4-9-17(15)34-21/h3-10,26H,11H2,1-2H3/b19-12-