methyl 2,4-bis(fluoranyl)-5-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylamino]benzoate

Systemtic Name: methyl 2,4-bis(fluoranyl)-5-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylamino]benzoate Openeye Name: methyl 2,4-difluoro-5-[[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]benzoate CAS Name: 2,4-difluoro-5-[[oxo-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2,4-difluoro-5-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]benzoate Traditional Name: 2,4-difluoro-5-[[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]benzoic acid methyl ester Formula: C22H15F2N3O3S MolecularWeight: 439.434606

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1F)F)NC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1F)F)NC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H15F2N3O3S/c1-30-22(29)14-10-18(17(24)11-16(14)23)25-21(28)15-12-27(13-6-3-2-4-7-13)26-20(15)19-8-5-9-31-19/h2-12H,1H3,(H,25,28)