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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C1CCCCCC1C(=C(C#N)C#N)SC)C#N

Isomeric SMILES

COC(=O)/C(=C/1\CCCCCC1C(=C(C#N)C#N)SC)/C#N

InChI

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