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

Systemtic Name: [2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate Openeye Name: [2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-2-oxo-ethyl] 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic 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] 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid [2-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-2-keto-ethyl] ester Formula: C23H25FN2O4S MolecularWeight: 444.519003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)OCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)OCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F

InChI

InChI=1S/C23H25FN2O4S/c1-16-5-3-4-6-21(16)31-15-23(29)30-14-22(28)26-11-9-25(10-12-26)20-8-7-18(17(2)27)13-19(20)24/h3-8,13H,9-12,14-15H2,1-2H3