ethyl (2E)-3-oxidanylidene-2-(phenylhydrazinylidene)-4-thiocyanato-butanoate

Systemtic Name: ethyl (2E)-3-oxidanylidene-2-(phenylhydrazinylidene)-4-thiocyanato-butanoate Openeye Name: ethyl (2E)-3-oxo-2-(phenylhydrazono)-4-thiocyanato-butanoate CAS Name: (2E)-3-oxo-2-(phenylhydrazinylidene)-4-thiocyanatobutanoic acid ethyl ester IUPAC Name: ethyl (2E)-3-oxo-2-(phenylhydrazinylidene)-4-thiocyanatobutanoate Traditional Name: (2E)-3-keto-2-(phenylhydrazono)-4-thiocyanato-butyric acid ethyl ester Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=NNC1=CC=CC=C1)C(=O)CSC#N

Isomeric SMILES

CCOC(=O)/C(=N/NC1=CC=CC=C1)/C(=O)CSC#N

InChI

InChI=1S/C13H13N3O3S/c1-2-19-13(18)12(11(17)8-20-9-14)16-15-10-6-4-3-5-7-10/h3-7,15H,2,8H2,1H3/b16-12+