ethyl 2-cyano-2-[(E)-2-cyano-3-oxidanylidene-3-phenyl-1-phenylazanyl-prop-1-enyl]sulfanyl-ethanoate

Systemtic Name: ethyl 2-cyano-2-[(E)-2-cyano-3-oxidanylidene-3-phenyl-1-phenylazanyl-prop-1-enyl]sulfanyl-ethanoate Openeye Name: ethyl 2-[(E)-1-anilino-2-cyano-3-oxo-3-phenyl-prop-1-enyl]sulfanyl-2-cyano-acetate CAS Name: 2-[[(E)-1-anilino-2-cyano-3-oxo-3-phenylprop-1-enyl]thio]-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl 2-[(E)-1-anilino-2-cyano-3-oxo-3-phenylprop-1-enyl]sulfanyl-2-cyanoacetate Traditional Name: 2-[[(E)-1-anilino-2-cyano-3-keto-3-phenyl-prop-1-enyl]thio]-2-cyano-acetic acid ethyl ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)SC(=C(C#N)C(=O)C1=CC=CC=C1)NC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C#N)S/C(=C(\C#N)/C(=O)C1=CC=CC=C1)/NC2=CC=CC=C2

InChI

InChI=1S/C21H17N3O3S/c1-2-27-21(26)18(14-23)28-20(24-16-11-7-4-8-12-16)17(13-22)19(25)15-9-5-3-6-10-15/h3-12,18,24H,2H2,1H3/b20-17+