methyl (2E)-2-cyano-2-[2-(2,2-dicyano-1-methylsulfanyl-ethenyl)-5-methyl-cyclohexylidene]ethanoate

Systemtic Name: methyl (2E)-2-cyano-2-[2-(2,2-dicyano-1-methylsulfanyl-ethenyl)-5-methyl-cyclohexylidene]ethanoate Openeye Name: methyl (2E)-2-cyano-2-[2-(2,2-dicyano-1-methylsulfanyl-vinyl)-5-methyl-cyclohexylidene]acetate CAS Name: (2E)-2-cyano-2-[2-[2,2-dicyano-1-(methylthio)ethenyl]-5-methylcyclohexylidene]acetic acid methyl ester IUPAC Name: methyl (2E)-2-cyano-2-[2-(2,2-dicyano-1-methylsulfanylethenyl)-5-methylcyclohexylidene]acetate Traditional Name: (2E)-2-cyano-2-[2-[2,2-dicyano-1-(methylthio)vinyl]-5-methyl-cyclohexylidene]acetic acid methyl ester Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=C(C#N)C(=O)OC)C1)C(=C(C#N)C#N)SC

Isomeric SMILES

CC1CCC(/C(=C(\C#N)/C(=O)OC)/C1)C(=C(C#N)C#N)SC

InChI

InChI=1S/C16H17N3O2S/c1-10-4-5-12(15(22-3)11(7-17)8-18)13(6-10)14(9-19)16(20)21-2/h10,12H,4-6H2,1-3H3/b14-13+