ethyl (2S,6S)-6-bromanyl-2-cyano-2-[(E)-pent-2-en-3-yl]heptanoate

Systemtic Name: ethyl (2S,6S)-6-bromanyl-2-cyano-2-[(E)-pent-2-en-3-yl]heptanoate Openeye Name: ethyl (2S,6S)-6-bromo-2-cyano-2-[(E)-1-ethylprop-1-enyl]heptanoate CAS Name: (2S,6S)-6-bromo-2-cyano-2-[(E)-pent-2-en-3-yl]heptanoic acid ethyl ester IUPAC Name: ethyl (2S,6S)-6-bromo-2-cyano-2-[(E)-pent-2-en-3-yl]heptanoate Traditional Name: (E,2S)-2-[(4S)-4-bromopentyl]-2-cyano-3-ethyl-pent-3-enoic acid ethyl ester Formula: C15H24BrNO2 MolecularWeight: 330.26056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24BrNO2/c1-5-13(6-2)15(11-17,14(18)19-7-3)10-8-9-12(4)16/h5,12H,6-10H2,1-4H3/b13-5+/t12-,15+/m0/s1