(4-methylsulfanylphenyl)methyl (2R)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl (2R)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: (4-methylsulfanylphenyl)methyl (2R)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: (2R)-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl (2R)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: (2R)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyric acid [4-(methylthio)benzyl] ester Formula: C21H25NO4S2 MolecularWeight: 419.5575

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4S2/c1-27-13-12-19(22-20(23)15-25-17-6-4-3-5-7-17)21(24)26-14-16-8-10-18(28-2)11-9-16/h3-11,19H,12-15H2,1-2H3,(H,22,23)/t19-/m1/s1