methyl (2R)-2-cyano-2-[(3S)-2-(2,2-dicyano-1-methylsulfanyl-ethenyl)-3,5,5-trimethyl-cyclohexen-1-yl]ethanoate

Systemtic Name: methyl (2R)-2-cyano-2-[(3S)-2-(2,2-dicyano-1-methylsulfanyl-ethenyl)-3,5,5-trimethyl-cyclohexen-1-yl]ethanoate Openeye Name: methyl (2R)-2-cyano-2-[(3S)-2-(2,2-dicyano-1-methylsulfanyl-vinyl)-3,5,5-trimethyl-cyclohexen-1-yl]acetate CAS Name: (2R)-2-cyano-2-[(3S)-2-[2,2-dicyano-1-(methylthio)ethenyl]-3,5,5-trimethyl-1-cyclohexenyl]acetic acid methyl ester IUPAC Name: methyl (2R)-2-cyano-2-[(3S)-2-(2,2-dicyano-1-methylsulfanylethenyl)-3,5,5-trimethylcyclohexen-1-yl]acetate Traditional Name: (2R)-2-cyano-2-[(3S)-2-[2,2-dicyano-1-(methylthio)vinyl]-3,5,5-trimethyl-cyclohexen-1-yl]acetic acid methyl ester Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(=C1C(=C(C#N)C#N)SC)C(C#N)C(=O)OC)(C)C

Isomeric SMILES

C[C@H]1CC(CC(=C1C(=C(C#N)C#N)SC)[C@H](C#N)C(=O)OC)(C)C

InChI

InChI=1S/C18H21N3O2S/c1-11-6-18(2,3)7-13(14(10-21)17(22)23-4)15(11)16(24-5)12(8-19)9-20/h11,14H,6-7H2,1-5H3/t11-,14-/m0/s1