3-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: 3-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: 3-[2-(dimethylamino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(dimethylamino)-2-oxoethyl]thio]propanoate IUPAC Name: 3-[2-(dimethylamino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-(dimethylamino)-2-keto-ethyl]thio]propionate Formula: C7H12NO3S- MolecularWeight: 190.24008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CSCCC(=O)[O-]

Isomeric SMILES

CN(C)C(=O)CSCCC(=O)[O-]

InChI

InChI=1S/C7H13NO3S/c1-8(2)6(9)5-12-4-3-7(10)11/h3-5H2,1-2H3,(H,10,11)/p-1