(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-[bis(fluoranyl)methylsulfonyl]benzoate

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-[bis(fluoranyl)methylsulfonyl]benzoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 4-(difluoromethylsulfonyl)benzoate CAS Name: 4-(difluoromethylsulfonyl)benzoic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(difluoromethylsulfonyl)benzoate Traditional Name: 4-(difluoromethylsulfonyl)benzoic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C16H11F2NO5S2 MolecularWeight: 399.389046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(=NO2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)F

Isomeric SMILES

C1=CSC(=C1)C2=CC(=NO2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)F

InChI

InChI=1S/C16H11F2NO5S2/c17-16(18)26(21,22)12-5-3-10(4-6-12)15(20)23-9-11-8-13(24-19-11)14-2-1-7-25-14/h1-8,16H,9H2