ethyl 2-cyano-2-[2-(2,2-dicyano-1-methylsulfanyl-ethenyl)cyclohexen-1-yl]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1=C(CCCC1)C(=C(C#N)C#N)SC

Isomeric SMILES

CCOC(=O)C(C#N)C1=C(CCCC1)C(=C(C#N)C#N)SC

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/h14H,3-7H2,1-2H3