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

Systemtic Name: 3-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]propanoate Openeye Name: 3-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]propanoate CAS Name: 3-[(5-acetyl-2-methoxyphenyl)methylthio]propanoate IUPAC Name: 3-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]propanoate Traditional Name: 3-[(5-acetyl-2-methoxy-benzyl)thio]propionate Formula: C13H15O4S- MolecularWeight: 267.3208

Click to see the large picture

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)/p-1