ethyl 2-cyano-2-[(1R,5S)-3-cyano-2-methylsulfanyl-4-oxidanylidene-9-bicyclo[3.3.1]non-2-enylidene]ethanoate

Systemtic Name: ethyl 2-cyano-2-[(1R,5S)-3-cyano-2-methylsulfanyl-4-oxidanylidene-9-bicyclo[3.3.1]non-2-enylidene]ethanoate Openeye Name: ethyl 2-cyano-2-[(1R,5S)-3-cyano-2-methylsulfanyl-4-oxo-9-bicyclo[3.3.1]non-2-enylidene]acetate CAS Name: 2-cyano-2-[(1R,5S)-3-cyano-2-(methylthio)-4-oxo-9-bicyclo[3.3.1]non-2-enylidene]acetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-[(1R,5S)-3-cyano-2-methylsulfanyl-4-oxo-9-bicyclo[3.3.1]non-2-enylidene]acetate Traditional Name: 2-cyano-2-[(1R,5S)-3-cyano-4-keto-2-(methylthio)-9-bicyclo[3.3.1]non-2-enylidene]acetic acid ethyl ester Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1C2CCCC1C(=O)C(=C2SC)C#N)C#N

Isomeric SMILES

CCOC(=O)C(=C1[C@H]2CCC[C@@H]1C(=O)C(=C2SC)C#N)C#N

InChI

InChI=1S/C16H16N2O3S/c1-3-21-16(20)11(7-17)13-9-5-4-6-10(13)15(22-2)12(8-18)14(9)19/h9-10H,3-6H2,1-2H3/t9-,10+/m0/s1