S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 11-cyanoundecanethioate

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 11-cyanoundecanethioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] 11-cyanoundecanethioate CAS Name: 11-cyanoundecanethioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] 11-cyanoundecanethioate Traditional Name: 11-cyanoundecanethioic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C23H40N2O2S MolecularWeight: 408.6409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)CCCCCCCCCCC#N

Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SC(=O)CCCCCCCCCCC#N

InChI

InChI=1S/C23H40N2O2S/c1-2-3-4-5-13-16-20-25-22(26)18-21-28-23(27)17-14-11-9-7-6-8-10-12-15-19-24/h18,21H,2-17,20H2,1H3,(H,25,26)/b21-18+