(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3,5-bis(trifluoromethyl)benzoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C17H9F6NO3S MolecularWeight: 421.313679

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H9F6NO3S/c18-16(19,20)10-4-9(5-11(6-10)17(21,22)23)15(25)26-8-12-7-13(27-24-12)14-2-1-3-28-14/h1-7H,8H2