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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)N(C(C)C(=O)OC)C(=O)CSC(=O)CC(C)C)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)N(C(C)C(=O)OC)C(=O)CSC(=O)CC(C)C)C

InChI

InChI=1S/C20H29NO4S/c1-12(2)10-18(23)26-11-17(22)21(16(6)20(24)25-7)19-14(4)9-8-13(3)15(19)5/h8-9,12,16H,10-11H2,1-7H3