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

Systemtic Name: methyl 2-[2-(2-ethylbutanoylsulfanyl)ethanoyl-(2,3,6-trimethylphenyl)amino]propanoate Openeye Name: methyl 2-(N-[2-(2-ethylbutanoylsulfanyl)acetyl]-2,3,6-trimethyl-anilino)propanoate CAS Name: 2-(N-[2-[(2-ethyl-1-oxobutyl)thio]-1-oxoethyl]-2,3,6-trimethylanilino)propanoic acid methyl ester IUPAC Name: methyl 2-(N-[2-(2-ethylbutanoylsulfanyl)acetyl]-2,3,6-trimethylanilino)propanoate Traditional Name: 2-(N-[2-(2-ethylbutanoylthio)acetyl]-2,3,6-trimethyl-anilino)propionic acid methyl ester Formula: C21H31NO4S MolecularWeight: 393.54014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO4S/c1-8-17(9-2)21(25)27-12-18(23)22(16(6)20(24)26-7)19-14(4)11-10-13(3)15(19)5/h10-11,16-17H,8-9,12H2,1-7H3