S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] oct-2-ynethioate

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] oct-2-ynethioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] oct-2-ynethioate CAS Name: 2-octynethioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] oct-2-ynethioate Traditional Name: oct-2-ynethioic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C19H31NO2S MolecularWeight: 337.51994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)C#CCCCCC

Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SC(=O)C#CCCCCC

InChI

InChI=1S/C19H31NO2S/c1-3-5-7-9-11-13-16-20-18(21)15-17-23-19(22)14-12-10-8-6-4-2/h15,17H,3-11,13,16H2,1-2H3,(H,20,21)/b17-15+