ethyl 4-fluoranyl-3-[3-(4-methylphenoxy)propanoyloxymethyl]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-fluoranyl-3-[3-(4-methylphenoxy)propanoyloxymethyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[3-(4-methylphenoxy)propanoyloxymethyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[3-(4-methylphenoxy)-1-oxopropoxy]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[3-(4-methylphenoxy)propanoyloxymethyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[3-(4-methylphenoxy)propanoyloxymethyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C22H21FO5S MolecularWeight: 416.462543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)CCOC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)CCOC3=CC=C(C=C3)C

InChI

InChI=1S/C22H21FO5S/c1-3-26-22(25)21-16(20-17(23)5-4-6-18(20)29-21)13-28-19(24)11-12-27-15-9-7-14(2)8-10-15/h4-10H,3,11-13H2,1-2H3