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

Systemtic Name: ethyl 3-[(2,5-dimethoxyphenyl)carbonyloxymethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[(2,5-dimethoxybenzoyl)oxymethyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[[(2,5-dimethoxyphenyl)-oxomethoxy]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2,5-dimethoxybenzoyl)oxymethyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[(2,5-dimethoxybenzoyl)oxymethyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C21H19FO6S MolecularWeight: 418.435363

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H19FO6S/c1-4-27-21(24)19-14(18-15(22)6-5-7-17(18)29-19)11-28-20(23)13-10-12(25-2)8-9-16(13)26-3/h5-10H,4,11H2,1-3H3