[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] (2R)-2-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] (2R)-2-(4-methylphenyl)sulfanylpropanoate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] (2R)-2-(p-tolylsulfanyl)propanoate CAS Name: (2R)-2-[(4-methylphenyl)thio]propanoic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2R)-2-(4-methylphenyl)sulfanylpropanoate Traditional Name: (2R)-2-(p-tolylthio)propionic acid [(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3

Isomeric SMILES

CC1=CC=C(C=C1)S[C@H](C)C(=O)O[C@H](C2=CC=CC=C2)C(=O)NC3CC3

InChI

InChI=1S/C21H23NO3S/c1-14-8-12-18(13-9-14)26-15(2)21(24)25-19(16-6-4-3-5-7-16)20(23)22-17-10-11-17/h3-9,12-13,15,17,19H,10-11H2,1-2H3,(H,22,23)/t15-,19-/m1/s1