[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)thio]propanoic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid [(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO3S/c1-15-8-11-19(14-16(15)2)27-13-12-20(24)26-21(17-6-4-3-5-7-17)22(25)23-18-9-10-18/h3-8,11,14,18,21H,9-10,12-13H2,1-2H3,(H,23,25)/t21-/m1/s1