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

Systemtic Name: ethyl (2S)-2-cyano-2-[2-(2,2-dicyano-1-methylsulfanyl-ethenyl)cyclohepten-1-yl]ethanoate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O2S/c1-3-22-17(21)15(11-20)13-7-5-4-6-8-14(13)16(23-2)12(9-18)10-19/h15H,3-8H2,1-2H3/t15-/m1/s1