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

Systemtic Name: sodium 2-[(2,6-dimethylphenyl)-(2-sulfanylethanoyl)amino]propanoate Openeye Name: sodium 2-(2,6-dimethyl-N-(2-sulfanylacetyl)anilino)propanoate CAS Name: sodium 2-(N-(2-mercapto-1-oxoethyl)-2,6-dimethylanilino)propanoate IUPAC Name: sodium 2-(2,6-dimethyl-N-(2-sulfanylacetyl)anilino)propanoate Traditional Name: sodium 2-(N-(2-mercaptoacetyl)-2,6-dimethyl-anilino)propionate Formula: C13H16NNaO3S MolecularWeight: 289.32581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S.Na/c1-8-5-4-6-9(2)12(8)14(11(15)7-18)10(3)13(16)17;/h4-6,10,18H,7H2,1-3H3,(H,16,17);/q;+1/p-1