[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] (2R)-2-phenylsulfanylpropanoate

Systemtic Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] (2R)-2-phenylsulfanylpropanoate Openeye Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl] (2R)-2-phenylsulfanylpropanoate CAS Name: (2R)-2-(phenylthio)propanoic acid [2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate Traditional Name: (2R)-2-(phenylthio)propionic acid [2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl] ester Formula: C21H23ClN2O3S MolecularWeight: 418.93692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O3S/c1-16(28-19-8-3-2-4-9-19)21(26)27-15-20(25)24-12-10-23(11-13-24)18-7-5-6-17(22)14-18/h2-9,14,16H,10-13,15H2,1H3/t16-/m1/s1