ethyl (2S,3R)-2-acetamido-3-(4-methylsulfonylphenyl)-3-oxidanyl-propanoate

Systemtic Name: ethyl (2S,3R)-2-acetamido-3-(4-methylsulfonylphenyl)-3-oxidanyl-propanoate Openeye Name: ethyl (2S,3R)-2-acetamido-3-hydroxy-3-(4-methylsulfonylphenyl)propanoate CAS Name: (2S,3R)-2-acetamido-3-hydroxy-3-(4-methylsulfonylphenyl)propanoic acid ethyl ester IUPAC Name: ethyl (2S,3R)-2-acetamido-3-hydroxy-3-(4-methylsulfonylphenyl)propanoate Traditional Name: (2S,3R)-2-acetamido-3-hydroxy-3-(4-mesylphenyl)propionic acid ethyl ester Formula: C14H19NO6S MolecularWeight: 329.36876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@H]([C@@H](C1=CC=C(C=C1)S(=O)(=O)C)O)NC(=O)C

InChI

InChI=1S/C14H19NO6S/c1-4-21-14(18)12(15-9(2)16)13(17)10-5-7-11(8-6-10)22(3,19)20/h5-8,12-13,17H,4H2,1-3H3,(H,15,16)/t12-,13+/m0/s1