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

Systemtic Name: methyl (2S)-2-cyano-2-[2-(2,2-dicyano-1-methylsulfanyl-ethenyl)cyclopenten-1-yl]ethanoate Openeye Name: methyl (2S)-2-cyano-2-[2-(2,2-dicyano-1-methylsulfanyl-vinyl)cyclopenten-1-yl]acetate CAS Name: (2S)-2-cyano-2-[2-[2,2-dicyano-1-(methylthio)ethenyl]-1-cyclopentenyl]acetic acid methyl ester IUPAC Name: methyl (2S)-2-cyano-2-[2-(2,2-dicyano-1-methylsulfanylethenyl)cyclopenten-1-yl]acetate Traditional Name: (2S)-2-cyano-2-[2-[2,2-dicyano-1-(methylthio)vinyl]cyclopenten-1-yl]acetic acid methyl ester Formula: C14H13N3O2S MolecularWeight: 287.33692

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=C(CCC1)C(=C(C#N)C#N)SC

Isomeric SMILES

COC(=O)[C@H](C#N)C1=C(CCC1)C(=C(C#N)C#N)SC

InChI

InChI=1S/C14H13N3O2S/c1-19-14(18)12(8-17)10-4-3-5-11(10)13(20-2)9(6-15)7-16/h12H,3-5H2,1-2H3/t12-/m1/s1