(2R,3S)-2-acetamido-3-ethoxy-3-(4-methylsulfanylphenyl)propanoic acid

Systemtic Name: (2R,3S)-2-acetamido-3-ethoxy-3-(4-methylsulfanylphenyl)propanoic acid Openeye Name: (2R,3S)-2-acetamido-3-ethoxy-3-(4-methylsulfanylphenyl)propanoic acid CAS Name: (2R,3S)-2-acetamido-3-ethoxy-3-[4-(methylthio)phenyl]propanoic acid IUPAC Name: (2R,3S)-2-acetamido-3-ethoxy-3-(4-methylsulfanylphenyl)propanoic acid Traditional Name: (2R,3S)-2-acetamido-3-ethoxy-3-[4-(methylthio)phenyl]propionic acid Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCO[C@@H](C1=CC=C(C=C1)SC)[C@H](C(=O)O)NC(=O)C

InChI

InChI=1S/C14H19NO4S/c1-4-19-13(12(14(17)18)15-9(2)16)10-5-7-11(20-3)8-6-10/h5-8,12-13H,4H2,1-3H3,(H,15,16)(H,17,18)/t12-,13+/m1/s1