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

Systemtic Name: ethyl (2E)-2-cyano-2-[2-(2,2-dicyano-1-methylsulfanyl-ethenyl)cycloheptylidene]ethanoate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O2S/c1-3-22-17(21)15(11-20)13-7-5-4-6-8-14(13)16(23-2)12(9-18)10-19/h14H,3-8H2,1-2H3/b15-13+