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

Systemtic Name: methyl 2-[2-octadecanoylsulfanylethanoyl-(2,3,6-trimethylphenyl)amino]propanoate Openeye Name: methyl 2-(2,3,6-trimethyl-N-(2-octadecanoylsulfanylacetyl)anilino)propanoate CAS Name: 2-(2,3,6-trimethyl-N-[1-oxo-2-(1-oxooctadecylthio)ethyl]anilino)propanoic acid methyl ester IUPAC Name: methyl 2-(2,3,6-trimethyl-N-(2-octadecanoylsulfanylacetyl)anilino)propanoate Traditional Name: 2-(2,3,6-trimethyl-N-[2-(stearoylthio)acetyl]anilino)propionic acid methyl ester Formula: C33H55NO4S MolecularWeight: 561.8591

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H55NO4S/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-31(36)39-25-30(35)34(29(5)33(37)38-6)32-27(3)24-23-26(2)28(32)4/h23-24,29H,7-22,25H2,1-6H3