(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3,5-bis(trifluoromethyl)benzoate Openeye Name: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester IUPAC Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl ester Formula: C16H8F6N2O3S MolecularWeight: 422.301739

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC=C1C2=NC(=NO2)COC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CSC=C1C2=NC(=NO2)COC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H8F6N2O3S/c17-15(18,19)10-3-9(4-11(5-10)16(20,21)22)14(25)26-6-12-23-13(27-24-12)8-1-2-28-7-8/h1-5,7H,6H2