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

Systemtic Name: methyl 2-[2-(2-ethylhexanoylsulfanyl)ethanoyl-(2,3,6-trimethylphenyl)amino]ethanoate Openeye Name: methyl 2-(N-[2-(2-ethylhexanoylsulfanyl)acetyl]-2,3,6-trimethyl-anilino)acetate CAS Name: 2-(N-[2-[(2-ethyl-1-oxohexyl)thio]-1-oxoethyl]-2,3,6-trimethylanilino)acetic acid methyl ester IUPAC Name: methyl 2-(N-[2-(2-ethylhexanoylsulfanyl)acetyl]-2,3,6-trimethylanilino)acetate Traditional Name: 2-(N-[2-(2-ethylhexanoylthio)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:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33NO4S/c1-7-9-10-18(8-2)22(26)28-14-19(24)23(13-20(25)27-6)21-16(4)12-11-15(3)17(21)5/h11-12,18H,7-10,13-14H2,1-6H3