[4-[1-(1-benzothiophen-2-yl)ethyl]-2-methylsulfanyl-phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [4-[1-(1-benzothiophen-2-yl)ethyl]-2-methylsulfanyl-phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [4-[1-(benzothiophen-2-yl)ethyl]-2-methylsulfanyl-phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-[1-(1-benzothiophen-2-yl)ethyl]-2-(methylthio)phenyl] ester IUPAC Name: [4-[1-(1-benzothiophen-2-yl)ethyl]-2-methylsulfanylphenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-[1-(benzothiophen-2-yl)ethyl]-2-(methylthio)phenyl] ester Formula: C18H15F3O3S3 MolecularWeight: 432.50011

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OS(=O)(=O)C(F)(F)F)SC)C2=CC3=CC=CC=C3S2

Isomeric SMILES

CC(C1=CC(=C(C=C1)OS(=O)(=O)C(F)(F)F)SC)C2=CC3=CC=CC=C3S2

InChI

InChI=1S/C18H15F3O3S3/c1-11(16-10-13-5-3-4-6-15(13)26-16)12-7-8-14(17(9-12)25-2)24-27(22,23)18(19,20)21/h3-11H,1-2H3