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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)C[C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C22H21FO4S/c1-3-26-22(25)21-16(20-17(23)10-7-11-18(20)28-21)13-27-19(24)12-14(2)15-8-5-4-6-9-15/h4-11,14H,3,12-13H2,1-2H3/t14-/m0/s1