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

Systemtic Name: [(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-ethylsulfanylbenzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-ethylsulfanylbenzoate CAS Name: 2-(ethylthio)benzoic 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-ethylsulfanylbenzoate Traditional Name: 2-(ethylthio)benzoic acid [(1R)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)OC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)O[C@H](C)C(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O3S/c1-3-28-20-12-8-7-11-19(20)22(26)27-17(2)21(25)24-15-13-23(14-16-24)18-9-5-4-6-10-18/h4-12,17H,3,13-16H2,1-2H3/t17-/m1/s1