magnesium 3-(1,3-benzothiazol-2-ylamino)-3-oxidanylidene-propanoate

Systemtic Name: magnesium 3-(1,3-benzothiazol-2-ylamino)-3-oxidanylidene-propanoate Openeye Name: magnesium 3-(1,3-benzothiazol-2-ylamino)-3-oxo-propanoate CAS Name: magnesium 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoate IUPAC Name: magnesium 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoate Traditional Name: magnesium 3-(1,3-benzothiazol-2-ylamino)-3-keto-propionate Formula: C20H14MgN4O6S2 MolecularWeight: 494.78336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)CC(=O)[O-].C1=CC=C2C(=C1)N=C(S2)NC(=O)CC(=O)[O-].[Mg+2]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)CC(=O)[O-].C1=CC=C2C(=C1)N=C(S2)NC(=O)CC(=O)[O-].[Mg+2]

InChI

InChI=1S/2C10H8N2O3S.Mg/c2*13-8(5-9(14)15)12-10-11-6-3-1-2-4-7(6)16-10;/h2*1-4H,5H2,(H,14,15)(H,11,12,13);/q;;+2/p-2