2-methylpropyl 4-[[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]carbonylamino]benzoate

Systemtic Name: 2-methylpropyl 4-[[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]carbonylamino]benzoate Openeye Name: isobutyl 4-[[4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]benzoate CAS Name: 4-[[oxo-[4-[5-thiophen-2-yl-3-(trifluoromethyl)-1-pyrazolyl]phenyl]methyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]benzoate Traditional Name: 4-[[4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]benzoic acid isobutyl ester Formula: C26H22F3N3O3S MolecularWeight: 513.53139

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C4=CC=CS4

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C4=CC=CS4

InChI

InChI=1S/C26H22F3N3O3S/c1-16(2)15-35-25(34)18-5-9-19(10-6-18)30-24(33)17-7-11-20(12-8-17)32-21(22-4-3-13-36-22)14-23(31-32)26(27,28)29/h3-14,16H,15H2,1-2H3,(H,30,33)