(4-ethanoylphenyl) (2S)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate

Systemtic Name: (4-ethanoylphenyl) (2S)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: (4-acetylphenyl) (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyric acid (4-acetylphenyl) ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)[C@H](CCSC)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H23NO5S/c1-15(23)16-8-10-18(11-9-16)27-21(25)19(12-13-28-2)22-20(24)14-26-17-6-4-3-5-7-17/h3-11,19H,12-14H2,1-2H3,(H,22,24)/t19-/m0/s1