ethyl (2S,5S)-5-bromanyl-2-cyano-2-[(E)-pent-2-en-3-yl]hexanoate

Systemtic Name: ethyl (2S,5S)-5-bromanyl-2-cyano-2-[(E)-pent-2-en-3-yl]hexanoate Openeye Name: ethyl (2S,5S)-5-bromo-2-cyano-2-[(E)-1-ethylprop-1-enyl]hexanoate CAS Name: (2S,5S)-5-bromo-2-cyano-2-[(E)-pent-2-en-3-yl]hexanoic acid ethyl ester IUPAC Name: ethyl (2S,5S)-5-bromo-2-cyano-2-[(E)-pent-2-en-3-yl]hexanoate Traditional Name: (E,2S)-2-[(3S)-3-bromobutyl]-2-cyano-3-ethyl-pent-3-enoic acid ethyl ester Formula: C14H22BrNO2 MolecularWeight: 316.23398

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC)C(CCC(C)Br)(C#N)C(=O)OCC

Isomeric SMILES

CC/C(=C\C)/[C@@](CC[C@H](C)Br)(C#N)C(=O)OCC

InChI

InChI=1S/C14H22BrNO2/c1-5-12(6-2)14(10-16,9-8-11(4)15)13(17)18-7-3/h5,11H,6-9H2,1-4H3/b12-5+/t11-,14+/m0/s1