methyl 3-[ethanoylsulfanyl-(3-hydroxyphenyl)methyl]sulfanylpropanoate

Systemtic Name: methyl 3-[ethanoylsulfanyl-(3-hydroxyphenyl)methyl]sulfanylpropanoate Openeye Name: methyl 3-[acetylsulfanyl-(3-hydroxyphenyl)methyl]sulfanylpropanoate CAS Name: 3-[[(acetylthio)-(3-hydroxyphenyl)methyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[acetylsulfanyl-(3-hydroxyphenyl)methyl]sulfanylpropanoate Traditional Name: 3-[[(acetylthio)-(3-hydroxyphenyl)methyl]thio]propionic acid methyl ester Formula: C13H16O4S2 MolecularWeight: 300.39374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(C1=CC(=CC=C1)O)SCCC(=O)OC

Isomeric SMILES

CC(=O)SC(C1=CC(=CC=C1)O)SCCC(=O)OC

InChI

InChI=1S/C13H16O4S2/c1-9(14)19-13(18-7-6-12(16)17-2)10-4-3-5-11(15)8-10/h3-5,8,13,15H,6-7H2,1-2H3