ethyl (E,2E)-2-(butylsulfanylmethylidene)-4-cyano-4-isocyano-3-methyl-but-3-enoate

Systemtic Name: ethyl (E,2E)-2-(butylsulfanylmethylidene)-4-cyano-4-isocyano-3-methyl-but-3-enoate Openeye Name: ethyl (E,2E)-2-(butylsulfanylmethylene)-4-cyano-4-isocyano-3-methyl-but-3-enoate CAS Name: (E,2E)-2-[(butylthio)methylidene]-4-cyano-4-isocyano-3-methyl-3-butenoic acid ethyl ester IUPAC Name: ethyl (E,2E)-2-(butylsulfanylmethylidene)-4-cyano-4-isocyano-3-methylbut-3-enoate Traditional Name: (E,2E)-2-[(butylthio)methylene]-4-cyano-4-isocyano-3-methyl-but-3-enoic acid ethyl ester Formula: C14H18N2O2S MolecularWeight: 278.36992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC=C(C(=C(C#N)[N+]#[C-])C)C(=O)OCC

Isomeric SMILES

CCCCS/C=C(\C(=C(/C#N)\[N+]#[C-])\C)/C(=O)OCC

InChI

InChI=1S/C14H18N2O2S/c1-5-7-8-19-10-12(14(17)18-6-2)11(3)13(9-15)16-4/h10H,5-8H2,1-3H3/b12-10+,13-11+