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

Systemtic Name: methyl 2-[2-nonanoylsulfanylethanoyl-(2,3,6-trimethylphenyl)amino]ethanoate Openeye Name: methyl 2-(2,3,6-trimethyl-N-(2-nonanoylsulfanylacetyl)anilino)acetate CAS Name: 2-(2,3,6-trimethyl-N-[1-oxo-2-(1-oxononylthio)ethyl]anilino)acetic acid methyl ester IUPAC Name: methyl 2-(2,3,6-trimethyl-N-(2-nonanoylsulfanylacetyl)anilino)acetate Traditional Name: 2-(2,3,6-trimethyl-N-[2-(pelargonylthio)acetyl]anilino)acetic acid methyl ester Formula: C23H35NO4S MolecularWeight: 421.5933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35NO4S/c1-6-7-8-9-10-11-12-22(27)29-16-20(25)24(15-21(26)28-5)23-18(3)14-13-17(2)19(23)4/h13-14H,6-12,15-16H2,1-5H3