sodium 2-[(2,6-dimethylphenyl)-(2-ethanoylsulfanylethanoyl)amino]propanoate

Systemtic Name: sodium 2-[(2,6-dimethylphenyl)-(2-ethanoylsulfanylethanoyl)amino]propanoate Openeye Name: sodium 2-(N-(2-acetylsulfanylacetyl)-2,6-dimethyl-anilino)propanoate CAS Name: sodium 2-(N-[2-(acetylthio)-1-oxoethyl]-2,6-dimethylanilino)propanoate IUPAC Name: sodium 2-(N-(2-acetylsulfanylacetyl)-2,6-dimethylanilino)propanoate Traditional Name: sodium 2-(N-[2-(acetylthio)acetyl]-2,6-dimethyl-anilino)propionate Formula: C15H18NNaO4S MolecularWeight: 331.36249

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N(C(C)C(=O)[O-])C(=O)CSC(=O)C.[Na+]

Isomeric SMILES

CC1=C(C(=CC=C1)C)N(C(C)C(=O)[O-])C(=O)CSC(=O)C.[Na+]

InChI

InChI=1S/C15H19NO4S.Na/c1-9-6-5-7-10(2)14(9)16(11(3)15(19)20)13(18)8-21-12(4)17;/h5-7,11H,8H2,1-4H3,(H,19,20);/q;+1/p-1