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

Systemtic Name: methyl 3-[(5-ethanoyl-2-oxidanyl-phenyl)methylsulfanyl]propanoate Openeye Name: methyl 3-[(5-acetyl-2-hydroxy-phenyl)methylsulfanyl]propanoate CAS Name: 3-[(5-acetyl-2-hydroxyphenyl)methylthio]propanoic acid methyl ester IUPAC Name: methyl 3-[(5-acetyl-2-hydroxyphenyl)methylsulfanyl]propanoate Traditional Name: 3-[(5-acetyl-2-hydroxy-benzyl)thio]propionic acid methyl ester Formula: C13H16O4S MolecularWeight: 268.32874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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