ethyl (Z,2E)-4-cyano-4-isocyano-2-(methylsulfanylmethylidene)-3-(trifluoromethyl)but-3-enoate

Systemtic Name: ethyl (Z,2E)-4-cyano-4-isocyano-2-(methylsulfanylmethylidene)-3-(trifluoromethyl)but-3-enoate Openeye Name: ethyl (Z,2E)-4-cyano-4-isocyano-2-(methylsulfanylmethylene)-3-(trifluoromethyl)but-3-enoate CAS Name: (Z,2E)-4-cyano-4-isocyano-2-[(methylthio)methylidene]-3-(trifluoromethyl)-3-butenoic acid ethyl ester IUPAC Name: ethyl (Z,2E)-4-cyano-4-isocyano-2-(methylsulfanylmethylidene)-3-(trifluoromethyl)but-3-enoate Traditional Name: (Z,2E)-4-cyano-4-isocyano-2-[(methylthio)methylene]-3-(trifluoromethyl)but-3-enoic acid ethyl ester Formula: C11H9F3N2O2S MolecularWeight: 290.26157

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CSC)C(=C(C#N)[N+]#[C-])C(F)(F)F

Isomeric SMILES

CCOC(=O)/C(=C/SC)/C(=C(\C#N)/[N+]#[C-])/C(F)(F)F

InChI

InChI=1S/C11H9F3N2O2S/c1-4-18-10(17)7(6-19-3)9(11(12,13)14)8(5-15)16-2/h6H,4H2,1,3H3/b7-6+,9-8-