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

Systemtic Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate Openeye Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxo-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate CAS Name: 3-[(4-fluorophenyl)thio]propanoic acid [2-[4-(2-acetamidoethyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-fluorophenyl)thio]propionic acid [2-[4-(2-acetamidoethyl)phenyl]-2-keto-ethyl] ester Formula: C21H22FNO4S MolecularWeight: 403.467083

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC=C(C=C1)C(=O)COC(=O)CCSC2=CC=C(C=C2)F

Isomeric SMILES

CC(=O)NCCC1=CC=C(C=C1)C(=O)COC(=O)CCSC2=CC=C(C=C2)F

InChI

InChI=1S/C21H22FNO4S/c1-15(24)23-12-10-16-2-4-17(5-3-16)20(25)14-27-21(26)11-13-28-19-8-6-18(22)7-9-19/h2-9H,10-14H2,1H3,(H,23,24)