(4-methylsulfanylphenyl)methyl (2S)-3-methyl-2-(2-phenoxyethanoylamino)butanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl (2S)-3-methyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: (4-methylsulfanylphenyl)methyl (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butyric acid [4-(methylthio)benzyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)SC)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=C(C=C1)SC)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H25NO4S/c1-15(2)20(22-19(23)14-25-17-7-5-4-6-8-17)21(24)26-13-16-9-11-18(27-3)12-10-16/h4-12,15,20H,13-14H2,1-3H3,(H,22,23)/t20-/m0/s1