[2-acetamido-2-(acetyloxymethyl)-3-(4-octylsulfanylphenyl)propyl] ethanoate

Systemtic Name: [2-acetamido-2-(acetyloxymethyl)-3-(4-octylsulfanylphenyl)propyl] ethanoate Openeye Name: [2-acetamido-2-(acetoxymethyl)-3-(4-octylsulfanylphenyl)propyl] acetate CAS Name: acetic acid [2-acetamido-2-(acetyloxymethyl)-3-[4-(octylthio)phenyl]propyl] ester IUPAC Name: [2-acetamido-2-(acetyloxymethyl)-3-(4-octylsulfanylphenyl)propyl] acetate Traditional Name: acetic acid [2-acetamido-2-(acetoxymethyl)-3-[4-(octylthio)phenyl]propyl] ester Formula: C24H37NO5S MolecularWeight: 451.61928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=CC=C(C=C1)CC(COC(=O)C)(COC(=O)C)NC(=O)C

Isomeric SMILES

CCCCCCCCSC1=CC=C(C=C1)CC(COC(=O)C)(COC(=O)C)NC(=O)C

InChI

InChI=1S/C24H37NO5S/c1-5-6-7-8-9-10-15-31-23-13-11-22(12-14-23)16-24(25-19(2)26,17-29-20(3)27)18-30-21(4)28/h11-14H,5-10,15-18H2,1-4H3,(H,25,26)