methyl 2-[2-(3,3-dimethylbutanoylsulfanyl)ethanoyl-(2,6-dimethylphenyl)amino]propanoate

Systemtic Name: methyl 2-[2-(3,3-dimethylbutanoylsulfanyl)ethanoyl-(2,6-dimethylphenyl)amino]propanoate Openeye Name: methyl 2-(N-[2-(3,3-dimethylbutanoylsulfanyl)acetyl]-2,6-dimethyl-anilino)propanoate CAS Name: 2-(N-[2-[(3,3-dimethyl-1-oxobutyl)thio]-1-oxoethyl]-2,6-dimethylanilino)propanoic acid methyl ester IUPAC Name: methyl 2-(N-[2-(3,3-dimethylbutanoylsulfanyl)acetyl]-2,6-dimethylanilino)propanoate Traditional Name: 2-(N-[2-(3,3-dimethylbutanoylthio)acetyl]-2,6-dimethyl-anilino)propionic acid methyl ester Formula: C20H29NO4S MolecularWeight: 379.51356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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