S-tert-butyl 5-methyl-4-[[4-(trifluoromethyloxy)phenyl]carbamoyl]-1,2-oxazole-3-carbothioate

Systemtic Name: S-tert-butyl 5-methyl-4-[[4-(trifluoromethyloxy)phenyl]carbamoyl]-1,2-oxazole-3-carbothioate Openeye Name: S-tert-butyl 5-methyl-4-[[4-(trifluoromethoxy)phenyl]carbamoyl]isoxazole-3-carbothioate CAS Name: 5-methyl-4-[oxo-[4-(trifluoromethoxy)anilino]methyl]-3-isoxazolecarbothioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 5-methyl-4-[[4-(trifluoromethoxy)phenyl]carbamoyl]-1,2-oxazole-3-carbothioate Traditional Name: 5-methyl-4-[[4-(trifluoromethoxy)phenyl]carbamoyl]isoxazole-3-carbothioic acid S-tert-butyl ester Formula: C17H17F3N2O4S MolecularWeight: 402.38809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C(=O)SC(C)(C)C)C(=O)NC2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

CC1=C(C(=NO1)C(=O)SC(C)(C)C)C(=O)NC2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C17H17F3N2O4S/c1-9-12(13(22-26-9)15(24)27-16(2,3)4)14(23)21-10-5-7-11(8-6-10)25-17(18,19)20/h5-8H,1-4H3,(H,21,23)