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

Systemtic Name: ethyl 3-[(4-acetamidophenyl)carbonyloxymethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[(4-acetamidobenzoyl)oxymethyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[[(4-acetamidophenyl)-oxomethoxy]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-acetamidobenzoyl)oxymethyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[(4-acetamidobenzoyl)oxymethyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C21H18FNO5S MolecularWeight: 415.434723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18FNO5S/c1-3-27-21(26)19-15(18-16(22)5-4-6-17(18)29-19)11-28-20(25)13-7-9-14(10-8-13)23-12(2)24/h4-10H,3,11H2,1-2H3,(H,23,24)