3-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]propanoic acid Openeye Name: 3-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]propanoic acid CAS Name: 3-[(5-acetyl-2-methoxyphenyl)methylthio]propanoic acid IUPAC Name: 3-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]propanoic acid Traditional Name: 3-[(5-acetyl-2-methoxy-benzyl)thio]propionic acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSCCC(=O)O

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSCCC(=O)O

InChI

InChI=1S/C13H16O4S/c1-9(14)10-3-4-12(17-2)11(7-10)8-18-6-5-13(15)16/h3-4,7H,5-6,8H2,1-2H3,(H,15,16)