calcium 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethanoate

Systemtic Name: calcium 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethanoate Openeye Name: calcium 2-[(4,5-dimethylthiazol-2-yl)amino]-2-oxo-acetate CAS Name: calcium 2-[(4,5-dimethyl-2-thiazolyl)amino]-2-oxoacetate IUPAC Name: calcium 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoacetate Traditional Name: calcium 2-[(4,5-dimethylthiazol-2-yl)amino]-2-keto-acetate Formula: C14H14CaN4O6S2 MolecularWeight: 438.49216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C(=O)[O-])C.CC1=C(SC(=N1)NC(=O)C(=O)[O-])C.[Ca+2]

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C(=O)[O-])C.CC1=C(SC(=N1)NC(=O)C(=O)[O-])C.[Ca+2]

InChI

InChI=1S/2C7H8N2O3S.Ca/c2*1-3-4(2)13-7(8-3)9-5(10)6(11)12;/h2*1-2H3,(H,11,12)(H,8,9,10);/q;;+2/p-2