ethyl 4-fluoranyl-3-[[(2R)-2-phenylbutanoyl]oxymethyl]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-fluoranyl-3-[[(2R)-2-phenylbutanoyl]oxymethyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[[(2R)-2-phenylbutanoyl]oxymethyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[(2R)-1-oxo-2-phenylbutoxy]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[[(2R)-2-phenylbutanoyl]oxymethyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[[(2R)-2-phenylbutanoyl]oxymethyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C22H21FO4S MolecularWeight: 400.463143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C1=CC=CC=C1)C(=O)OCC2=C(SC3=CC=CC(=C32)F)C(=O)OCC

InChI

InChI=1S/C22H21FO4S/c1-3-15(14-9-6-5-7-10-14)21(24)27-13-16-19-17(23)11-8-12-18(19)28-20(16)22(25)26-4-2/h5-12,15H,3-4,13H2,1-2H3/t15-/m1/s1