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

Systemtic Name: methyl 2-[2-(2-ethylhexanoylsulfanyl)ethanoyl-(2,3,6-trimethylphenyl)amino]propanoate Openeye Name: methyl 2-(N-[2-(2-ethylhexanoylsulfanyl)acetyl]-2,3,6-trimethyl-anilino)propanoate CAS Name: 2-(N-[2-[(2-ethyl-1-oxohexyl)thio]-1-oxoethyl]-2,3,6-trimethylanilino)propanoic acid methyl ester IUPAC Name: methyl 2-(N-[2-(2-ethylhexanoylsulfanyl)acetyl]-2,3,6-trimethylanilino)propanoate Traditional Name: 2-(N-[2-(2-ethylhexanoylthio)acetyl]-2,3,6-trimethyl-anilino)propionic acid methyl ester Formula: C23H35NO4S MolecularWeight: 421.5933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35NO4S/c1-8-10-11-19(9-2)23(27)29-14-20(25)24(18(6)22(26)28-7)21-16(4)13-12-15(3)17(21)5/h12-13,18-19H,8-11,14H2,1-7H3