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

Systemtic Name: methyl 2-[2-dodecanoylsulfanylethanoyl-(2,3,6-trimethylphenyl)amino]propanoate Openeye Name: methyl 2-(N-(2-dodecanoylsulfanylacetyl)-2,3,6-trimethyl-anilino)propanoate CAS Name: 2-(2,3,6-trimethyl-N-[1-oxo-2-(1-oxododecylthio)ethyl]anilino)propanoic acid methyl ester IUPAC Name: methyl 2-(N-(2-dodecanoylsulfanylacetyl)-2,3,6-trimethylanilino)propanoate Traditional Name: 2-(N-[2-(lauroylthio)acetyl]-2,3,6-trimethyl-anilino)propionic acid methyl ester Formula: C27H43NO4S MolecularWeight: 477.69962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H43NO4S/c1-7-8-9-10-11-12-13-14-15-16-25(30)33-19-24(29)28(23(5)27(31)32-6)26-21(3)18-17-20(2)22(26)4/h17-18,23H,7-16,19H2,1-6H3