2-[(4-acetamidophenoxy)methyl]-3-ethanoylsulfanyl-propanoic acid

Systemtic Name: 2-[(4-acetamidophenoxy)methyl]-3-ethanoylsulfanyl-propanoic acid Openeye Name: 2-[(4-acetamidophenoxy)methyl]-3-acetylsulfanyl-propanoic acid CAS Name: 2-[(4-acetamidophenoxy)methyl]-3-(acetylthio)propanoic acid IUPAC Name: 2-[(4-acetamidophenoxy)methyl]-3-acetylsulfanylpropanoic acid Traditional Name: 2-[(4-acetamidophenoxy)methyl]-3-(acetylthio)propionic acid Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OCC(CSC(=O)C)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OCC(CSC(=O)C)C(=O)O

InChI

InChI=1S/C14H17NO5S/c1-9(16)15-12-3-5-13(6-4-12)20-7-11(14(18)19)8-21-10(2)17/h3-6,11H,7-8H2,1-2H3,(H,15,16)(H,18,19)