(7-bromanyl-4,5-dimethyl-1-benzothiophen-3-yl)methyl 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: (7-bromanyl-4,5-dimethyl-1-benzothiophen-3-yl)methyl 2,2,2-tris(fluoranyl)ethanoate Openeye Name: (7-bromo-4,5-dimethyl-benzothiophen-3-yl)methyl 2,2,2-trifluoroacetate CAS Name: 2,2,2-trifluoroacetic acid (7-bromo-4,5-dimethyl-1-benzothiophen-3-yl)methyl ester IUPAC Name: (7-bromo-4,5-dimethyl-1-benzothiophen-3-yl)methyl 2,2,2-trifluoroacetate Traditional Name: 2,2,2-trifluoroacetic acid (7-bromo-4,5-dimethyl-benzothiophen-3-yl)methyl ester Formula: C13H10BrF3O2S MolecularWeight: 367.18151

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1C)C(=CS2)COC(=O)C(F)(F)F)Br

Isomeric SMILES

CC1=CC(=C2C(=C1C)C(=CS2)COC(=O)C(F)(F)F)Br

InChI

InChI=1S/C13H10BrF3O2S/c1-6-3-9(14)11-10(7(6)2)8(5-20-11)4-19-12(18)13(15,16)17/h3,5H,4H2,1-2H3