ethyl 3-[(2,6-dimethoxyphenyl)carbonyloxymethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[(2,6-dimethoxyphenyl)carbonyloxymethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[(2,6-dimethoxybenzoyl)oxymethyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[[(2,6-dimethoxyphenyl)-oxomethoxy]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2,6-dimethoxybenzoyl)oxymethyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[(2,6-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=C3OC)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)C3=C(C=CC=C3OC)OC

InChI

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