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

Systemtic Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] (2R)-2-phenylsulfanylpropanoate Openeye Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl] (2R)-2-phenylsulfanylpropanoate CAS Name: (2R)-2-(phenylthio)propanoic acid [2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate Traditional Name: (2R)-2-(phenylthio)propionic acid [2-[4-(2-fluorophenyl)piperazino]-2-keto-ethyl] ester Formula: C21H23FN2O3S MolecularWeight: 402.482323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N1CCN(CC1)C2=CC=CC=C2F)SC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)OCC(=O)N1CCN(CC1)C2=CC=CC=C2F)SC3=CC=CC=C3

InChI

InChI=1S/C21H23FN2O3S/c1-16(28-17-7-3-2-4-8-17)21(26)27-15-20(25)24-13-11-23(12-14-24)19-10-6-5-9-18(19)22/h2-10,16H,11-15H2,1H3/t16-/m1/s1