ethyl (2E)-2-cyano-2-[2-(2,2-dicyano-1-methylsulfanyl-ethenyl)cyclohexylidene]ethanoate

Systemtic Name: ethyl (2E)-2-cyano-2-[2-(2,2-dicyano-1-methylsulfanyl-ethenyl)cyclohexylidene]ethanoate Openeye Name: ethyl (2E)-2-cyano-2-[2-(2,2-dicyano-1-methylsulfanyl-vinyl)cyclohexylidene]acetate CAS Name: (2E)-2-cyano-2-[2-[2,2-dicyano-1-(methylthio)ethenyl]cyclohexylidene]acetic acid ethyl ester IUPAC Name: ethyl (2E)-2-cyano-2-[2-(2,2-dicyano-1-methylsulfanylethenyl)cyclohexylidene]acetate Traditional Name: (2E)-2-cyano-2-[2-[2,2-dicyano-1-(methylthio)vinyl]cyclohexylidene]acetic acid ethyl ester Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1CCCCC1C(=C(C#N)C#N)SC)C#N

Isomeric SMILES

CCOC(=O)/C(=C/1\CCCCC1C(=C(C#N)C#N)SC)/C#N

InChI

InChI=1S/C16H17N3O2S/c1-3-21-16(20)14(10-19)12-6-4-5-7-13(12)15(22-2)11(8-17)9-18/h13H,3-7H2,1-2H3/b14-12+