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

Systemtic Name: methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-(2-butanoylsulfanylethanoyl)amino]propanoate Openeye Name: methyl 2-(3-bromo-N-(2-butanoylsulfanylacetyl)-2,6-dimethyl-anilino)propanoate CAS Name: 2-(3-bromo-2,6-dimethyl-N-[1-oxo-2-(1-oxobutylthio)ethyl]anilino)propanoic acid methyl ester IUPAC Name: methyl 2-(3-bromo-N-(2-butanoylsulfanylacetyl)-2,6-dimethylanilino)propanoate Traditional Name: 2-(3-bromo-N-[2-(butyrylthio)acetyl]-2,6-dimethyl-anilino)propionic acid methyl ester Formula: C18H24BrNO4S MolecularWeight: 430.35646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24BrNO4S/c1-6-7-16(22)25-10-15(21)20(13(4)18(23)24-5)17-11(2)8-9-14(19)12(17)3/h8-9,13H,6-7,10H2,1-5H3