ethyl (2S)-2-cyano-2-[(1Z)-2-(2,2-dicyano-1-methylsulfanyl-ethenyl)cycloocten-1-yl]ethanoate

Systemtic Name: ethyl (2S)-2-cyano-2-[(1Z)-2-(2,2-dicyano-1-methylsulfanyl-ethenyl)cycloocten-1-yl]ethanoate Openeye Name: ethyl (2S)-2-cyano-2-[(1Z)-2-(2,2-dicyano-1-methylsulfanyl-vinyl)cycloocten-1-yl]acetate CAS Name: (2S)-2-cyano-2-[(1Z)-2-[2,2-dicyano-1-(methylthio)ethenyl]-1-cyclooctenyl]acetic acid ethyl ester IUPAC Name: ethyl (2S)-2-cyano-2-[(1Z)-2-(2,2-dicyano-1-methylsulfanylethenyl)cycloocten-1-yl]acetate Traditional Name: (2S)-2-cyano-2-[(1Z)-2-[2,2-dicyano-1-(methylthio)vinyl]cycloocten-1-yl]acetic acid ethyl ester Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1=C(CCCCCC1)C(=C(C#N)C#N)SC

Isomeric SMILES

CCOC(=O)[C@H](C#N)/C/1=C(/CCCCCC1)\C(=C(C#N)C#N)SC

InChI

InChI=1S/C18H21N3O2S/c1-3-23-18(22)16(12-21)14-8-6-4-5-7-9-15(14)17(24-2)13(10-19)11-20/h16H,3-9H2,1-2H3/b15-14-/t16-/m1/s1