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

Systemtic Name: S-ethyl 5-methyl-4-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,2-oxazole-3-carbothioate Openeye Name: S-ethyl 5-methyl-4-[[4-(trifluoromethyl)phenyl]carbamoyl]isoxazole-3-carbothioate CAS Name: 5-methyl-4-[oxo-[4-(trifluoromethyl)anilino]methyl]-3-isoxazolecarbothioic acid S-ethyl ester IUPAC Name: S-ethyl 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-ethyl ester Formula: C15H13F3N2O3S MolecularWeight: 358.33553

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13F3N2O3S/c1-3-24-14(22)12-11(8(2)23-20-12)13(21)19-10-6-4-9(5-7-10)15(16,17)18/h4-7H,3H2,1-2H3,(H,19,21)