methyl 2-[2-dodecanoylsulfanylethanoyl-(2,3,6-trimethylphenyl)amino]ethanoate

Systemtic Name: methyl 2-[2-dodecanoylsulfanylethanoyl-(2,3,6-trimethylphenyl)amino]ethanoate Openeye Name: methyl 2-(N-(2-dodecanoylsulfanylacetyl)-2,3,6-trimethyl-anilino)acetate CAS Name: 2-(2,3,6-trimethyl-N-[1-oxo-2-(1-oxododecylthio)ethyl]anilino)acetic acid methyl ester IUPAC Name: methyl 2-(N-(2-dodecanoylsulfanylacetyl)-2,3,6-trimethylanilino)acetate Traditional Name: 2-(N-[2-(lauroylthio)acetyl]-2,3,6-trimethyl-anilino)acetic acid methyl ester Formula: C26H41NO4S MolecularWeight: 463.67304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)SCC(=O)N(CC(=O)OC)C1=C(C=CC(=C1C)C)C

Isomeric SMILES

CCCCCCCCCCCC(=O)SCC(=O)N(CC(=O)OC)C1=C(C=CC(=C1C)C)C

InChI

InChI=1S/C26H41NO4S/c1-6-7-8-9-10-11-12-13-14-15-25(30)32-19-23(28)27(18-24(29)31-5)26-21(3)17-16-20(2)22(26)4/h16-17H,6-15,18-19H2,1-5H3