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

Systemtic Name: methyl 2-[2-hexadecanoylsulfanylethanoyl-(2,3,6-trimethylphenyl)amino]propanoate Openeye Name: methyl 2-(N-(2-hexadecanoylsulfanylacetyl)-2,3,6-trimethyl-anilino)propanoate CAS Name: 2-(2,3,6-trimethyl-N-[1-oxo-2-(1-oxohexadecylthio)ethyl]anilino)propanoic acid methyl ester IUPAC Name: methyl 2-(N-(2-hexadecanoylsulfanylacetyl)-2,3,6-trimethylanilino)propanoate Traditional Name: 2-(N-[2-(hexadecanoylthio)acetyl]-2,3,6-trimethyl-anilino)propionic acid methyl ester Formula: C31H51NO4S MolecularWeight: 533.80594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H51NO4S/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29(34)37-23-28(33)32(27(5)31(35)36-6)30-25(3)22-21-24(2)26(30)4/h21-22,27H,7-20,23H2,1-6H3