[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [2-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [2-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-2-keto-ethyl] ester Formula: C24H27FN2O4S MolecularWeight: 458.545583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F

InChI

InChI=1S/C24H27FN2O4S/c1-17-3-6-20(7-4-17)32-14-9-24(30)31-16-23(29)27-12-10-26(11-13-27)22-8-5-19(18(2)28)15-21(22)25/h3-8,15H,9-14,16H2,1-2H3