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

Systemtic Name: methyl 2-[(2,6-dimethylphenyl)-(2-octadecanoylsulfanylethanoyl)amino]ethanoate Openeye Name: methyl 2-(2,6-dimethyl-N-(2-octadecanoylsulfanylacetyl)anilino)acetate CAS Name: 2-(2,6-dimethyl-N-[1-oxo-2-(1-oxooctadecylthio)ethyl]anilino)acetic acid methyl ester IUPAC Name: methyl 2-(2,6-dimethyl-N-(2-octadecanoylsulfanylacetyl)anilino)acetate Traditional Name: 2-(2,6-dimethyl-N-[2-(stearoylthio)acetyl]anilino)acetic acid methyl ester Formula: C31H51NO4S MolecularWeight: 533.80594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H51NO4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-30(35)37-25-28(33)32(24-29(34)36-4)31-26(2)21-20-22-27(31)3/h20-22H,5-19,23-25H2,1-4H3