ethyl 3-[(phenylmethylsulfanyl)methyl]-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxylate

Systemtic Name: ethyl 3-[(phenylmethylsulfanyl)methyl]-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxylate Openeye Name: ethyl 3-(benzylsulfanylmethyl)-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxylate CAS Name: 3-[(phenylmethylthio)methyl]-5-[4-(trifluoromethyl)phenyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(benzylsulfanylmethyl)-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxylate Traditional Name: 3-[(benzylthio)methyl]-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid ethyl ester Formula: C22H19F3O2S2 MolecularWeight: 436.51027

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)C(F)(F)F)CSCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)C(F)(F)F)CSCC3=CC=CC=C3

InChI

InChI=1S/C22H19F3O2S2/c1-2-27-21(26)20-17(14-28-13-15-6-4-3-5-7-15)12-19(29-20)16-8-10-18(11-9-16)22(23,24)25/h3-12H,2,13-14H2,1H3