[2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate

Systemtic Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate Openeye Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxo-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate CAS Name: 3-[(4-fluorophenyl)thio]propanoic acid [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-fluorophenyl)thio]propionic acid [2-[4-(3-acetamidopropyl)phenyl]-2-keto-ethyl] ester Formula: C22H24FNO4S MolecularWeight: 417.493663

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)CCSC2=CC=C(C=C2)F

Isomeric SMILES

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)CCSC2=CC=C(C=C2)F

InChI

InChI=1S/C22H24FNO4S/c1-16(25)24-13-2-3-17-4-6-18(7-5-17)21(26)15-28-22(27)12-14-29-20-10-8-19(23)9-11-20/h4-11H,2-3,12-15H2,1H3,(H,24,25)