methyl 5-bromanyl-3-(trifluoromethyl)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-bromanyl-3-(trifluoromethyl)-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-bromo-3-(trifluoromethyl)benzothiophene-2-carboxylate CAS Name: 5-bromo-3-(trifluoromethyl)-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-(trifluoromethyl)-1-benzothiophene-2-carboxylate Traditional Name: 5-bromo-3-(trifluoromethyl)benzothiophene-2-carboxylic acid methyl ester Formula: C11H6BrF3O2S MolecularWeight: 339.12835

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=CC(=C2)Br)C(F)(F)F

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=CC(=C2)Br)C(F)(F)F

InChI

InChI=1S/C11H6BrF3O2S/c1-17-10(16)9-8(11(13,14)15)6-4-5(12)2-3-7(6)18-9/h2-4H,1H3