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

Systemtic Name: S-butyl 5-methyl-4-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,2-oxazole-3-carbothioate Openeye Name: S-butyl 5-methyl-4-[[4-(trifluoromethyl)phenyl]carbamoyl]isoxazole-3-carbothioate CAS Name: 5-methyl-4-[oxo-[4-(trifluoromethyl)anilino]methyl]-3-isoxazolecarbothioic acid S-butyl ester IUPAC Name: S-butyl 5-methyl-4-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,2-oxazole-3-carbothioate Traditional Name: 5-methyl-4-[[4-(trifluoromethyl)phenyl]carbamoyl]isoxazole-3-carbothioic acid S-butyl ester Formula: C17H17F3N2O3S MolecularWeight: 386.38869

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(=O)C1=NOC(=C1C(=O)NC2=CC=C(C=C2)C(F)(F)F)C

Isomeric SMILES

CCCCSC(=O)C1=NOC(=C1C(=O)NC2=CC=C(C=C2)C(F)(F)F)C

InChI

InChI=1S/C17H17F3N2O3S/c1-3-4-9-26-16(24)14-13(10(2)25-22-14)15(23)21-12-7-5-11(6-8-12)17(18,19)20/h5-8H,3-4,9H2,1-2H3,(H,21,23)