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

Systemtic Name: methyl 2-[2-octanoylsulfanylethanoyl-(2,3,6-trimethylphenyl)amino]ethanoate Openeye Name: methyl 2-(2,3,6-trimethyl-N-(2-octanoylsulfanylacetyl)anilino)acetate CAS Name: 2-(2,3,6-trimethyl-N-[1-oxo-2-(1-oxooctylthio)ethyl]anilino)acetic acid methyl ester IUPAC Name: methyl 2-(2,3,6-trimethyl-N-(2-octanoylsulfanylacetyl)anilino)acetate Traditional Name: 2-(N-[2-(caprylylthio)acetyl]-2,3,6-trimethyl-anilino)acetic acid methyl ester Formula: C22H33NO4S MolecularWeight: 407.56672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33NO4S/c1-6-7-8-9-10-11-21(26)28-15-19(24)23(14-20(25)27-5)22-17(3)13-12-16(2)18(22)4/h12-13H,6-11,14-15H2,1-5H3