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

Systemtic Name: methyl 2-[2-hexadecanoylsulfanylethanoyl-(2,3,6-trimethylphenyl)amino]ethanoate Openeye Name: methyl 2-(N-(2-hexadecanoylsulfanylacetyl)-2,3,6-trimethyl-anilino)acetate CAS Name: 2-(2,3,6-trimethyl-N-[1-oxo-2-(1-oxohexadecylthio)ethyl]anilino)acetic acid methyl ester IUPAC Name: methyl 2-(N-(2-hexadecanoylsulfanylacetyl)-2,3,6-trimethylanilino)acetate Traditional Name: 2-(N-[2-(hexadecanoylthio)acetyl]-2,3,6-trimethyl-anilino)acetic acid methyl ester Formula: C30H49NO4S MolecularWeight: 519.77936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H49NO4S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(34)36-23-27(32)31(22-28(33)35-5)30-25(3)21-20-24(2)26(30)4/h20-21H,6-19,22-23H2,1-5H3