[(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-(2-methylphenyl)sulfanylethanoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid [(2R)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid [(1R)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C22H26N2O3S MolecularWeight: 398.51844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)OC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)O[C@H](C)C(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O3S/c1-17-8-6-7-11-20(17)28-16-21(25)27-18(2)22(26)24-14-12-23(13-15-24)19-9-4-3-5-10-19/h3-11,18H,12-16H2,1-2H3/t18-/m1/s1