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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=C(CCCCC1)C(=C(C#N)C#N)SC

Isomeric SMILES

COC(=O)[C@H](C#N)C1=C(CCCCC1)C(=C(C#N)C#N)SC

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/h14H,3-7H2,1-2H3/t14-/m1/s1