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

Systemtic Name: methyl 2-[2-heptanoylsulfanylethanoyl-(2,3,6-trimethylphenyl)amino]ethanoate Openeye Name: methyl 2-(N-(2-heptanoylsulfanylacetyl)-2,3,6-trimethyl-anilino)acetate CAS Name: 2-(2,3,6-trimethyl-N-[1-oxo-2-(1-oxoheptylthio)ethyl]anilino)acetic acid methyl ester IUPAC Name: methyl 2-(N-(2-heptanoylsulfanylacetyl)-2,3,6-trimethylanilino)acetate Traditional Name: 2-(N-[2-(enanthylthio)acetyl]-2,3,6-trimethyl-anilino)acetic acid methyl ester Formula: C21H31NO4S MolecularWeight: 393.54014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO4S/c1-6-7-8-9-10-20(25)27-14-18(23)22(13-19(24)26-5)21-16(3)12-11-15(2)17(21)4/h11-12H,6-10,13-14H2,1-5H3