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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=C(C=CC(=C1)C(=O)C)OC

Isomeric SMILES

CC(C(=O)O)SCC1=C(C=CC(=C1)C(=O)C)OC

InChI

InChI=1S/C13H16O4S/c1-8(14)10-4-5-12(17-3)11(6-10)7-18-9(2)13(15)16/h4-6,9H,7H2,1-3H3,(H,15,16)