[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [2-keto-2-[[(1S)-1-phenylethyl]amino]ethyl] ester Formula: C20H23NO3S MolecularWeight: 357.46652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO3S/c1-15-8-10-18(11-9-15)25-13-12-20(23)24-14-19(22)21-16(2)17-6-4-3-5-7-17/h3-11,16H,12-14H2,1-2H3,(H,21,22)/t16-/m0/s1