2-ethanoylsulfanyl-4-(3-methoxyphenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 2-ethanoylsulfanyl-4-(3-methoxyphenyl)-4-oxidanylidene-butanoic acid Openeye Name: 2-acetylsulfanyl-4-(3-methoxyphenyl)-4-oxo-butanoic acid CAS Name: 2-(acetylthio)-4-(3-methoxyphenyl)-4-oxobutanoic acid IUPAC Name: 2-acetylsulfanyl-4-(3-methoxyphenyl)-4-oxobutanoic acid Traditional Name: 2-(acetylthio)-4-keto-4-(3-methoxyphenyl)butyric acid Formula: C13H14O5S MolecularWeight: 282.31226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O5S/c1-8(14)19-12(13(16)17)7-11(15)9-4-3-5-10(6-9)18-2/h3-6,12H,7H2,1-2H3,(H,16,17)