calcium 2-[(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)carbamoyl-methyl-amino]-2-oxidanylidene-ethanoate

Systemtic Name: calcium 2-[(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)carbamoyl-methyl-amino]-2-oxidanylidene-ethanoate Openeye Name: calcium 2-[(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)carbamoyl-methyl-amino]-2-oxo-acetate CAS Name: calcium 2-[[[(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)amino]-oxomethyl]-methylamino]-2-oxoacetate IUPAC Name: calcium 2-[(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)carbamoyl-methylamino]-2-oxoacetate Traditional Name: calcium 2-keto-2-[(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)carbamoyl-methyl-amino]acetate Formula: C13H14CaN3O5S+ MolecularWeight: 364.41036

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)N(C)C(=O)C(=O)[O-])C.[Ca+2]

Isomeric SMILES

CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)N(C)C(=O)C(=O)[O-])C.[Ca+2]

InChI

InChI=1S/C13H15N3O5S.Ca/c1-13(2)4-6-8(7(17)5-13)22-11(14-6)15-12(21)16(3)9(18)10(19)20;/h4-5H2,1-3H3,(H,19,20)(H,14,15,21);/q;+2/p-1