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

Systemtic Name: 3-[(5-ethanoyl-2-ethoxy-phenyl)methylsulfanyl]propanoic acid Openeye Name: 3-[(5-acetyl-2-ethoxy-phenyl)methylsulfanyl]propanoic acid CAS Name: 3-[(5-acetyl-2-ethoxyphenyl)methylthio]propanoic acid IUPAC Name: 3-[(5-acetyl-2-ethoxyphenyl)methylsulfanyl]propanoic acid Traditional Name: 3-[(5-acetyl-2-ethoxy-benzyl)thio]propionic acid Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSCCC(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSCCC(=O)O

InChI

InChI=1S/C14H18O4S/c1-3-18-13-5-4-11(10(2)15)8-12(13)9-19-7-6-14(16)17/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,17)