sodium 2-[phenyl(4-sulfanylidenebutan-2-yl)amino]propanoate

Systemtic Name: sodium 2-[phenyl(4-sulfanylidenebutan-2-yl)amino]propanoate Openeye Name: sodium 2-(N-(1-methyl-3-thioxo-propyl)anilino)propanoate CAS Name: sodium 2-[N-(4-sulfanylidenebutan-2-yl)anilino]propanoate IUPAC Name: sodium 2-[N-(4-sulfanylidenebutan-2-yl)anilino]propanoate Traditional Name: sodium 2-(N-(1-methyl-3-thioxo-propyl)anilino)propionate Formula: C13H16NNaO2S MolecularWeight: 273.32641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC=S)N(C1=CC=CC=C1)C(C)C(=O)[O-].[Na+]

Isomeric SMILES

CC(CC=S)N(C1=CC=CC=C1)C(C)C(=O)[O-].[Na+]

InChI

InChI=1S/C13H17NO2S.Na/c1-10(8-9-17)14(11(2)13(15)16)12-6-4-3-5-7-12;/h3-7,9-11H,8H2,1-2H3,(H,15,16);/q;+1/p-1