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

Systemtic Name: methyl 2-[2-butanoylsulfanylethanoyl-(2,3,6-trimethylphenyl)amino]ethanoate Openeye Name: methyl 2-(N-(2-butanoylsulfanylacetyl)-2,3,6-trimethyl-anilino)acetate CAS Name: 2-(2,3,6-trimethyl-N-[1-oxo-2-(1-oxobutylthio)ethyl]anilino)acetic acid methyl ester IUPAC Name: methyl 2-(N-(2-butanoylsulfanylacetyl)-2,3,6-trimethylanilino)acetate Traditional Name: 2-(N-[2-(butyrylthio)acetyl]-2,3,6-trimethyl-anilino)acetic acid methyl ester Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO4S/c1-6-7-17(22)24-11-15(20)19(10-16(21)23-5)18-13(3)9-8-12(2)14(18)4/h8-9H,6-7,10-11H2,1-5H3