ethyl 3-[2-(3,4-dimethylphenyl)ethanoyloxymethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[2-(3,4-dimethylphenyl)ethanoyloxymethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[[2-(3,4-dimethylphenyl)acetyl]oxymethyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[[2-(3,4-dimethylphenyl)-1-oxoethoxy]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(3,4-dimethylphenyl)acetyl]oxymethyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[[2-(3,4-dimethylphenyl)acetyl]oxymethyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C22H21FO4S MolecularWeight: 400.463143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)CC3=CC(=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)CC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C22H21FO4S/c1-4-26-22(25)21-16(20-17(23)6-5-7-18(20)28-21)12-27-19(24)11-15-9-8-13(2)14(3)10-15/h5-10H,4,11-12H2,1-3H3