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

Systemtic Name: methyl 2-[(2,6-dimethylphenyl)-(2-hexadecanoylsulfanylethanoyl)amino]ethanoate Openeye Name: methyl 2-(N-(2-hexadecanoylsulfanylacetyl)-2,6-dimethyl-anilino)acetate CAS Name: 2-(2,6-dimethyl-N-[1-oxo-2-(1-oxohexadecylthio)ethyl]anilino)acetic acid methyl ester IUPAC Name: methyl 2-(N-(2-hexadecanoylsulfanylacetyl)-2,6-dimethylanilino)acetate Traditional Name: 2-(N-[2-(hexadecanoylthio)acetyl]-2,6-dimethyl-anilino)acetic acid methyl ester Formula: C29H47NO4S MolecularWeight: 505.75278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H47NO4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-28(33)35-23-26(31)30(22-27(32)34-4)29-24(2)19-18-20-25(29)3/h18-20H,5-17,21-23H2,1-4H3