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

Systemtic Name: methyl (2S)-2-cyano-2-[2-(2,2-dicyano-1-methylsulfanyl-ethenyl)cyclohexen-1-yl]ethanoate Openeye Name: methyl (2S)-2-cyano-2-[2-(2,2-dicyano-1-methylsulfanyl-vinyl)cyclohexen-1-yl]acetate CAS Name: (2S)-2-cyano-2-[2-[2,2-dicyano-1-(methylthio)ethenyl]-1-cyclohexenyl]acetic acid methyl ester IUPAC Name: methyl (2S)-2-cyano-2-[2-(2,2-dicyano-1-methylsulfanylethenyl)cyclohexen-1-yl]acetate Traditional Name: (2S)-2-cyano-2-[2-[2,2-dicyano-1-(methylthio)vinyl]cyclohexen-1-yl]acetic acid methyl ester Formula: C15H15N3O2S MolecularWeight: 301.3635

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)[C@H](C#N)C1=C(CCCC1)C(=C(C#N)C#N)SC

InChI

InChI=1S/C15H15N3O2S/c1-20-15(19)13(9-18)11-5-3-4-6-12(11)14(21-2)10(7-16)8-17/h13H,3-6H2,1-2H3/t13-/m1/s1