[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate

Systemtic Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate Openeye Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [2-[4-(2-fluorophenyl)piperazino]-2-keto-ethyl] ester Formula: C20H21FN2O3S MolecularWeight: 388.455743

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C20H21FN2O3S/c1-27-16-8-6-15(7-9-16)20(25)26-14-19(24)23-12-10-22(11-13-23)18-5-3-2-4-17(18)21/h2-9H,10-14H2,1H3