S-[(E)-3-(cyclododecylamino)-3-oxidanylidene-prop-1-enyl] ethanethioate

Systemtic Name: S-[(E)-3-(cyclododecylamino)-3-oxidanylidene-prop-1-enyl] ethanethioate Openeye Name: S-[(E)-3-(cyclododecylamino)-3-oxo-prop-1-enyl] ethanethioate CAS Name: ethanethioic acid S-[(E)-3-(cyclododecylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(cyclododecylamino)-3-oxoprop-1-enyl] ethanethioate Traditional Name: ethanethioic acid S-[(E)-3-(cyclododecylamino)-3-keto-prop-1-enyl] ester Formula: C17H29NO2S MolecularWeight: 311.48266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC=CC(=O)NC1CCCCCCCCCCC1

Isomeric SMILES

CC(=O)S/C=C/C(=O)NC1CCCCCCCCCCC1

InChI

InChI=1S/C17H29NO2S/c1-15(19)21-14-13-17(20)18-16-11-9-7-5-3-2-4-6-8-10-12-16/h13-14,16H,2-12H2,1H3,(H,18,20)/b14-13+