3-[1-(dimethylamino)-1-oxidanylidene-propan-2-yl]sulfanylpropanoic acid

Systemtic Name: 3-[1-(dimethylamino)-1-oxidanylidene-propan-2-yl]sulfanylpropanoic acid Openeye Name: 3-[2-(dimethylamino)-1-methyl-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[1-(dimethylamino)-1-oxopropan-2-yl]thio]propanoic acid IUPAC Name: 3-[1-(dimethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid Traditional Name: 3-[[2-(dimethylamino)-2-keto-1-methyl-ethyl]thio]propionic acid Formula: C8H15NO3S MolecularWeight: 205.2746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C)SCCC(=O)O

Isomeric SMILES

CC(C(=O)N(C)C)SCCC(=O)O

InChI

InChI=1S/C8H15NO3S/c1-6(8(12)9(2)3)13-5-4-7(10)11/h6H,4-5H2,1-3H3,(H,10,11)