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

Systemtic Name: methyl 2-[2-(2-ethylbutanoylsulfanyl)ethanoyl-(2,3,6-trimethylphenyl)amino]ethanoate Openeye Name: methyl 2-(N-[2-(2-ethylbutanoylsulfanyl)acetyl]-2,3,6-trimethyl-anilino)acetate CAS Name: 2-(N-[2-[(2-ethyl-1-oxobutyl)thio]-1-oxoethyl]-2,3,6-trimethylanilino)acetic acid methyl ester IUPAC Name: methyl 2-(N-[2-(2-ethylbutanoylsulfanyl)acetyl]-2,3,6-trimethylanilino)acetate Traditional Name: 2-(N-[2-(2-ethylbutanoylthio)acetyl]-2,3,6-trimethyl-anilino)acetic acid methyl ester Formula: C20H29NO4S MolecularWeight: 379.51356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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