2-ethanoylsulfanyl-5-methoxy-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-ethanoylsulfanyl-5-methoxy-5-oxidanylidene-pentanoic acid Openeye Name: 2-acetylsulfanyl-5-methoxy-5-oxo-pentanoic acid CAS Name: 2-(acetylthio)-5-methoxy-5-oxopentanoic acid IUPAC Name: 2-acetylsulfanyl-5-methoxy-5-oxopentanoic acid Traditional Name: 2-(acetylthio)-5-keto-5-methoxy-valeric acid Formula: C8H12O5S MolecularWeight: 220.24288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12O5S/c1-5(9)14-6(8(11)12)3-4-7(10)13-2/h6H,3-4H2,1-2H3,(H,11,12)