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

Systemtic Name: methyl 2-[2-octadecanoylsulfanylethanoyl-(2,3,6-trimethylphenyl)amino]ethanoate Openeye Name: methyl 2-(2,3,6-trimethyl-N-(2-octadecanoylsulfanylacetyl)anilino)acetate CAS Name: 2-(2,3,6-trimethyl-N-[1-oxo-2-(1-oxooctadecylthio)ethyl]anilino)acetic acid methyl ester IUPAC Name: methyl 2-(2,3,6-trimethyl-N-(2-octadecanoylsulfanylacetyl)anilino)acetate Traditional Name: 2-(2,3,6-trimethyl-N-[2-(stearoylthio)acetyl]anilino)acetic acid methyl ester Formula: C32H53NO4S MolecularWeight: 547.83252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H53NO4S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(36)38-25-29(34)33(24-30(35)37-5)32-27(3)23-22-26(2)28(32)4/h22-23H,6-21,24-25H2,1-5H3