methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-[2-(2-ethylbutanoylsulfanyl)ethanoyl]amino]propanoate

Systemtic Name: methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-[2-(2-ethylbutanoylsulfanyl)ethanoyl]amino]propanoate Openeye Name: methyl 2-(3-bromo-N-[2-(2-ethylbutanoylsulfanyl)acetyl]-2,6-dimethyl-anilino)propanoate CAS Name: 2-(3-bromo-N-[2-[(2-ethyl-1-oxobutyl)thio]-1-oxoethyl]-2,6-dimethylanilino)propanoic acid methyl ester IUPAC Name: methyl 2-(3-bromo-N-[2-(2-ethylbutanoylsulfanyl)acetyl]-2,6-dimethylanilino)propanoate Traditional Name: 2-(3-bromo-N-[2-(2-ethylbutanoylthio)acetyl]-2,6-dimethyl-anilino)propionic acid methyl ester Formula: C20H28BrNO4S MolecularWeight: 458.40962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28BrNO4S/c1-7-15(8-2)20(25)27-11-17(23)22(14(5)19(24)26-6)18-12(3)9-10-16(21)13(18)4/h9-10,14-15H,7-8,11H2,1-6H3