2-methyl-3-(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanyl-propanoate

Systemtic Name: 2-methyl-3-(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanyl-propanoate Openeye Name: 3-(2-isopropoxy-2-oxo-ethyl)sulfanyl-2-methyl-propanoate CAS Name: 2-methyl-3-[(2-oxo-2-propan-2-yloxyethyl)thio]propanoate IUPAC Name: 2-methyl-3-(2-oxo-2-propan-2-yloxyethyl)sulfanylpropanoate Traditional Name: 3-[(2-isopropoxy-2-keto-ethyl)thio]-2-methyl-propionate Formula: C9H15O4S- MolecularWeight: 219.278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSCC(C)C(=O)[O-]

Isomeric SMILES

CC(C)OC(=O)CSCC(C)C(=O)[O-]

InChI

InChI=1S/C9H16O4S/c1-6(2)13-8(10)5-14-4-7(3)9(11)12/h6-7H,4-5H2,1-3H3,(H,11,12)/p-1