[2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] (2R)-2-phenylsulfanylpropanoate

Systemtic Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] (2R)-2-phenylsulfanylpropanoate Openeye Name: [2-[2-(o-tolyl)ethylamino]-2-oxo-ethyl] (2R)-2-phenylsulfanylpropanoate CAS Name: (2R)-2-(phenylthio)propanoic acid [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate Traditional Name: (2R)-2-(phenylthio)propionic acid [2-keto-2-[2-(o-tolyl)ethylamino]ethyl] ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=O)COC(=O)C(C)SC2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC=C1CCNC(=O)COC(=O)[C@@H](C)SC2=CC=CC=C2

InChI

InChI=1S/C20H23NO3S/c1-15-8-6-7-9-17(15)12-13-21-19(22)14-24-20(23)16(2)25-18-10-4-3-5-11-18/h3-11,16H,12-14H2,1-2H3,(H,21,22)/t16-/m1/s1