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

Systemtic Name: S-(phenylmethyl) 5-methyl-4-[[4-(trifluoromethyloxy)phenyl]carbamoyl]-1,2-oxazole-3-carbothioate Openeye Name: S-benzyl 5-methyl-4-[[4-(trifluoromethoxy)phenyl]carbamoyl]isoxazole-3-carbothioate CAS Name: 5-methyl-4-[oxo-[4-(trifluoromethoxy)anilino]methyl]-3-isoxazolecarbothioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl 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-benzyl ester Formula: C20H15F3N2O4S MolecularWeight: 436.40431

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C(=O)SCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CC1=C(C(=NO1)C(=O)SCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C20H15F3N2O4S/c1-12-16(17(25-29-12)19(27)30-11-13-5-3-2-4-6-13)18(26)24-14-7-9-15(10-8-14)28-20(21,22)23/h2-10H,11H2,1H3,(H,24,26)