copper; ethanoic acid; ethyl (2E)-3-oxidanylidene-2-[phenylazanyl(sulfanyl)methylidene]butanoate

Systemtic Name: copper; ethanoic acid; ethyl (2E)-3-oxidanylidene-2-[phenylazanyl(sulfanyl)methylidene]butanoate Openeye Name: acetic acid; copper; ethyl (2E)-2-[anilino(sulfanyl)methylene]-3-oxo-butanoate CAS Name: acetic acid; (2E)-2-[anilino(mercapto)methylidene]-3-oxobutanoic acid ethyl ester; copper IUPAC Name: acetic acid; copper; ethyl (2E)-2-[anilino(sulfanyl)methylidene]-3-oxobutanoate Traditional Name: acetic acid; (E)-2-acetyl-3-anilino-3-mercapto-acrylic acid ethyl ester; copper Formula: C15H19CuNO5S MolecularWeight: 388.92606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO3S.C2H4O2.Cu/c1-3-17-13(16)11(9(2)15)12(18)14-10-7-5-4-6-8-10;1-2(3)4;/h4-8,14,18H,3H2,1-2H3;1H3,(H,3,4);/b12-11+;;