[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [(1R)-2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [(1R)-2-keto-1-methyl-2-(p-anisylamino)ethyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OC(C)C(=O)NCC2=CC=C(C=C2)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)O[C@H](C)C(=O)NCC2=CC=C(C=C2)OC

InChI

InChI=1S/C21H25NO4S/c1-15-4-10-19(11-5-15)27-13-12-20(23)26-16(2)21(24)22-14-17-6-8-18(25-3)9-7-17/h4-11,16H,12-14H2,1-3H3,(H,22,24)/t16-/m1/s1