[(2S,3S)-2-acetamido-3-(4-methylsulfanylphenyl)-3-oxidanyl-propyl] ethanoate

Systemtic Name: [(2S,3S)-2-acetamido-3-(4-methylsulfanylphenyl)-3-oxidanyl-propyl] ethanoate Openeye Name: [(2S,3S)-2-acetamido-3-hydroxy-3-(4-methylsulfanylphenyl)propyl] acetate CAS Name: acetic acid [(2S,3S)-2-acetamido-3-hydroxy-3-[4-(methylthio)phenyl]propyl] ester IUPAC Name: [(2S,3S)-2-acetamido-3-hydroxy-3-(4-methylsulfanylphenyl)propyl] acetate Traditional Name: acetic acid [(2S,3S)-2-acetamido-3-hydroxy-3-[4-(methylthio)phenyl]propyl] ester Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(COC(=O)C)C(C1=CC=C(C=C1)SC)O

Isomeric SMILES

CC(=O)N[C@@H](COC(=O)C)[C@H](C1=CC=C(C=C1)SC)O

InChI

InChI=1S/C14H19NO4S/c1-9(16)15-13(8-19-10(2)17)14(18)11-4-6-12(20-3)7-5-11/h4-7,13-14,18H,8H2,1-3H3,(H,15,16)/t13-,14-/m0/s1