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

Systemtic Name: methyl 2-[2-decanoylsulfanylethanoyl-(2,6-dimethylphenyl)amino]ethanoate Openeye Name: methyl 2-(N-(2-decanoylsulfanylacetyl)-2,6-dimethyl-anilino)acetate CAS Name: 2-(2,6-dimethyl-N-[1-oxo-2-(1-oxodecylthio)ethyl]anilino)acetic acid methyl ester IUPAC Name: methyl 2-(N-(2-decanoylsulfanylacetyl)-2,6-dimethylanilino)acetate Traditional Name: 2-(N-[2-(caprylthio)acetyl]-2,6-dimethyl-anilino)acetic acid methyl ester Formula: C23H35NO4S MolecularWeight: 421.5933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35NO4S/c1-5-6-7-8-9-10-11-15-22(27)29-17-20(25)24(16-21(26)28-4)23-18(2)13-12-14-19(23)3/h12-14H,5-11,15-17H2,1-4H3