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

Systemtic Name: methyl 2-[2-hexanoylsulfanylethanoyl-(2,3,6-trimethylphenyl)amino]ethanoate Openeye Name: methyl 2-(N-(2-hexanoylsulfanylacetyl)-2,3,6-trimethyl-anilino)acetate CAS Name: 2-(2,3,6-trimethyl-N-[1-oxo-2-(1-oxohexylthio)ethyl]anilino)acetic acid methyl ester IUPAC Name: methyl 2-(N-(2-hexanoylsulfanylacetyl)-2,3,6-trimethylanilino)acetate Traditional Name: 2-(N-[2-(caproylthio)acetyl]-2,3,6-trimethyl-anilino)acetic acid methyl ester Formula: C20H29NO4S MolecularWeight: 379.51356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29NO4S/c1-6-7-8-9-19(24)26-13-17(22)21(12-18(23)25-5)20-15(3)11-10-14(2)16(20)4/h10-11H,6-9,12-13H2,1-5H3