cobalt(2+); (E)-1-ethoxy-3-oxidanylidene-2-(phenylcarbamothioyl)but-1-en-1-olate

Systemtic Name: cobalt(2+); (E)-1-ethoxy-3-oxidanylidene-2-(phenylcarbamothioyl)but-1-en-1-olate Openeye Name: cobaltous (E)-1-ethoxy-3-oxo-2-(phenylcarbamothioyl)but-1-en-1-olate CAS Name: (E)-2-[anilino(sulfanylidene)methyl]-1-ethoxy-3-oxo-1-buten-1-olate; cobalt(2+) IUPAC Name: cobalt(2+); (E)-1-ethoxy-3-oxo-2-(phenylcarbamothioyl)but-1-en-1-olate Traditional Name: cobaltous (E)-1-ethoxy-3-keto-2-(phenylthiocarbamoyl)but-1-en-1-olate Formula: C26H28CoN2O6S2 MolecularWeight: 587.57352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)C)C(=S)NC1=CC=CC=C1)[O-].CCOC(=C(C(=O)C)C(=S)NC1=CC=CC=C1)[O-].[Co+2]

Isomeric SMILES

CCO/C(=C(/C(=S)NC1=CC=CC=C1)\C(=O)C)/[O-].CCO/C(=C(/C(=S)NC1=CC=CC=C1)\C(=O)C)/[O-].[Co+2]

InChI

InChI=1S/2C13H15NO3S.Co/c2*1-3-17-13(16)11(9(2)15)12(18)14-10-7-5-4-6-8-10;/h2*4-8,16H,3H2,1-2H3,(H,14,18);/q;;+2/p-2/b2*13-11+;