ethyl 4-fluoranyl-3-[(4-propanoylphenoxy)methyl]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-fluoranyl-3-[(4-propanoylphenoxy)methyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[(4-propanoylphenoxy)methyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[4-(1-oxopropyl)phenoxy]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[(4-propanoylphenoxy)methyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[(4-propionylphenoxy)methyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C21H19FO4S MolecularWeight: 386.436563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19FO4S/c1-3-17(23)13-8-10-14(11-9-13)26-12-15-19-16(22)6-5-7-18(19)27-20(15)21(24)25-4-2/h5-11H,3-4,12H2,1-2H3