ethyl (2Z)-3-oxidanylidene-2-[phenylazanyl(sulfanyl)methylidene]butanoate; nickel

Systemtic Name: ethyl (2Z)-3-oxidanylidene-2-[phenylazanyl(sulfanyl)methylidene]butanoate; nickel Openeye Name: ethyl (2Z)-2-[anilino(sulfanyl)methylene]-3-oxo-butanoate; nickel CAS Name: (2Z)-2-[anilino(mercapto)methylidene]-3-oxobutanoic acid ethyl ester; nickel IUPAC Name: ethyl (2Z)-2-[anilino(sulfanyl)methylidene]-3-oxobutanoate; nickel Traditional Name: (Z)-2-acetyl-3-anilino-3-mercapto-acrylic acid ethyl ester; nickel Formula: C26H30N2NiO6S2 MolecularWeight: 589.3496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NC1=CC=CC=C1)S)C(=O)C.CCOC(=O)C(=C(NC1=CC=CC=C1)S)C(=O)C.[Ni]

Isomeric SMILES

CCOC(=O)/C(=C(\S)/NC1=CC=CC=C1)/C(=O)C.CCOC(=O)/C(=C(\S)/NC1=CC=CC=C1)/C(=O)C.[Ni]

InChI

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