[2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [2-keto-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl] ester Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NC(C)CCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)N[C@H](C)CCC2=CC=CC=C2

InChI

InChI=1S/C22H27NO3S/c1-17-8-12-20(13-9-17)27-15-14-22(25)26-16-21(24)23-18(2)10-11-19-6-4-3-5-7-19/h3-9,12-13,18H,10-11,14-16H2,1-2H3,(H,23,24)/t18-/m1/s1