(5-ethanoyl-2-methoxy-phenyl)methyl 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C21H19FO5S MolecularWeight: 402.435963

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=C(C3=C(C=CC=C3S2)F)COC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=C(C3=C(C=CC=C3S2)F)COC

InChI

InChI=1S/C21H19FO5S/c1-12(23)13-7-8-17(26-3)14(9-13)10-27-21(24)20-15(11-25-2)19-16(22)5-4-6-18(19)28-20/h4-9H,10-11H2,1-3H3