methyl 3-[4-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[4-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[4-(trifluoromethyl)phenyl]benzothiophene-2-carboxylate CAS Name: 3-[4-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[4-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxylate Traditional Name: 3-[4-(trifluoromethyl)phenyl]benzothiophene-2-carboxylic acid methyl ester Formula: C17H11F3O2S MolecularWeight: 336.32825

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2S1)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2S1)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H11F3O2S/c1-22-16(21)15-14(12-4-2-3-5-13(12)23-15)10-6-8-11(9-7-10)17(18,19)20/h2-9H,1H3