(phenylmethylsulfanyl)methyl 5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxylate

Systemtic Name: (phenylmethylsulfanyl)methyl 5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxylate Openeye Name: benzylsulfanylmethyl 5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxylate CAS Name: 5-[4-(trifluoromethyl)phenyl]-2-thiophenecarboxylic acid (phenylmethylthio)methyl ester IUPAC Name: benzylsulfanylmethyl 5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxylate Traditional Name: 5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid (benzylthio)methyl ester Formula: C20H15F3O2S2 MolecularWeight: 408.45711

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCOC(=O)C2=CC=C(S2)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CSCOC(=O)C2=CC=C(S2)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H15F3O2S2/c21-20(22,23)16-8-6-15(7-9-16)17-10-11-18(27-17)19(24)25-13-26-12-14-4-2-1-3-5-14/h1-11H,12-13H2