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

Systemtic Name: magnesium 2-[(2,6-dimethylphenyl)-(2-ethanoylsulfanylethanoyl)amino]propanoate Openeye Name: magnesium 2-(N-(2-acetylsulfanylacetyl)-2,6-dimethyl-anilino)propanoate CAS Name: magnesium 2-(N-[2-(acetylthio)-1-oxoethyl]-2,6-dimethylanilino)propanoate IUPAC Name: magnesium 2-(N-(2-acetylsulfanylacetyl)-2,6-dimethylanilino)propanoate Traditional Name: magnesium 2-(N-[2-(acetylthio)acetyl]-2,6-dimethyl-anilino)propionate Formula: C30H36MgN2O8S2 MolecularWeight: 641.05044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N(C(C)C(=O)[O-])C(=O)CSC(=O)C.CC1=C(C(=CC=C1)C)N(C(C)C(=O)[O-])C(=O)CSC(=O)C.[Mg+2]

Isomeric SMILES

CC1=C(C(=CC=C1)C)N(C(C)C(=O)[O-])C(=O)CSC(=O)C.CC1=C(C(=CC=C1)C)N(C(C)C(=O)[O-])C(=O)CSC(=O)C.[Mg+2]

InChI

InChI=1S/2C15H19NO4S.Mg/c2*1-9-6-5-7-10(2)14(9)16(11(3)15(19)20)13(18)8-21-12(4)17;/h2*5-7,11H,8H2,1-4H3,(H,19,20);/q;;+2/p-2