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

Systemtic Name: [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] (2R)-2-phenylsulfanylpropanoate Openeye Name: [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl] (2R)-2-phenylsulfanylpropanoate CAS Name: (2R)-2-(phenylthio)propanoic acid [2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate Traditional Name: (2R)-2-(phenylthio)propionic acid [2-keto-2-[4-(2-methoxyphenyl)piperazino]ethyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N1CCN(CC1)C2=CC=CC=C2OC)SC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)OCC(=O)N1CCN(CC1)C2=CC=CC=C2OC)SC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O4S/c1-17(29-18-8-4-3-5-9-18)22(26)28-16-21(25)24-14-12-23(13-15-24)19-10-6-7-11-20(19)27-2/h3-11,17H,12-16H2,1-2H3/t17-/m1/s1