ethyl 3-[(4-ethoxyphenyl)carbonyloxymethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[(4-ethoxyphenyl)carbonyloxymethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[(4-ethoxybenzoyl)oxymethyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[[(4-ethoxyphenyl)-oxomethoxy]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-ethoxybenzoyl)oxymethyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[(4-ethoxybenzoyl)oxymethyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C21H19FO5S MolecularWeight: 402.435963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OCC2=C(SC3=CC=CC(=C32)F)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OCC2=C(SC3=CC=CC(=C32)F)C(=O)OCC

InChI

InChI=1S/C21H19FO5S/c1-3-25-14-10-8-13(9-11-14)20(23)27-12-15-18-16(22)6-5-7-17(18)28-19(15)21(24)26-4-2/h5-11H,3-4,12H2,1-2H3