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

Systemtic Name: methyl 2-[2-(2-methylbutanoylsulfanyl)ethanoyl-(2,3,6-trimethylphenyl)amino]propanoate Openeye Name: methyl 2-(2,3,6-trimethyl-N-[2-(2-methylbutanoylsulfanyl)acetyl]anilino)propanoate CAS Name: 2-(2,3,6-trimethyl-N-[2-[(2-methyl-1-oxobutyl)thio]-1-oxoethyl]anilino)propanoic acid methyl ester IUPAC Name: methyl 2-(2,3,6-trimethyl-N-[2-(2-methylbutanoylsulfanyl)acetyl]anilino)propanoate Traditional Name: 2-(2,3,6-trimethyl-N-[2-(2-methylbutanoylthio)acetyl]anilino)propionic acid methyl ester Formula: C20H29NO4S MolecularWeight: 379.51356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29NO4S/c1-8-12(2)20(24)26-11-17(22)21(16(6)19(23)25-7)18-14(4)10-9-13(3)15(18)5/h9-10,12,16H,8,11H2,1-7H3