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

Systemtic Name: 2-[(5-ethanoyl-2-ethoxy-phenyl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(5-acetyl-2-ethoxy-phenyl)methylsulfanyl]acetic acid CAS Name: 2-[(5-acetyl-2-ethoxyphenyl)methylthio]acetic acid IUPAC Name: 2-[(5-acetyl-2-ethoxyphenyl)methylsulfanyl]acetic acid Traditional Name: 2-[(5-acetyl-2-ethoxy-benzyl)thio]acetic acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSCC(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSCC(=O)O

InChI

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