ethyl 3-[(2,5-dimethylphenyl)carbonyloxymethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[(2,5-dimethylphenyl)carbonyloxymethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[(2,5-dimethylbenzoyl)oxymethyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[[(2,5-dimethylphenyl)-oxomethoxy]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2,5-dimethylbenzoyl)oxymethyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[(2,5-dimethylbenzoyl)oxymethyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C21H19FO4S MolecularWeight: 386.436563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19FO4S/c1-4-25-21(24)19-15(18-16(22)6-5-7-17(18)27-19)11-26-20(23)14-10-12(2)8-9-13(14)3/h5-10H,4,11H2,1-3H3