propan-2-yl 2-oxidanyl-4-oxidanylidene-4-propan-2-ylsulfanyl-butanoate

Systemtic Name: propan-2-yl 2-oxidanyl-4-oxidanylidene-4-propan-2-ylsulfanyl-butanoate Openeye Name: isopropyl 2-hydroxy-4-isopropylsulfanyl-4-oxo-butanoate CAS Name: 2-hydroxy-4-oxo-4-(propan-2-ylthio)butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-hydroxy-4-oxo-4-propan-2-ylsulfanylbutanoate Traditional Name: 2-hydroxy-4-(isopropylthio)-4-keto-butyric acid isopropyl ester Formula: C10H18O4S MolecularWeight: 234.31252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H18O4S/c1-6(2)14-10(13)8(11)5-9(12)15-7(3)4/h6-8,11H,5H2,1-4H3