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

Systemtic Name: methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-(2-butanoylsulfanylethanoyl)amino]ethanoate Openeye Name: methyl 2-(3-bromo-N-(2-butanoylsulfanylacetyl)-2,6-dimethyl-anilino)acetate CAS Name: 2-(3-bromo-2,6-dimethyl-N-[1-oxo-2-(1-oxobutylthio)ethyl]anilino)acetic acid methyl ester IUPAC Name: methyl 2-(3-bromo-N-(2-butanoylsulfanylacetyl)-2,6-dimethylanilino)acetate Traditional Name: 2-(3-bromo-N-[2-(butyrylthio)acetyl]-2,6-dimethyl-anilino)acetic acid methyl ester Formula: C17H22BrNO4S MolecularWeight: 416.32988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22BrNO4S/c1-5-6-16(22)24-10-14(20)19(9-15(21)23-4)17-11(2)7-8-13(18)12(17)3/h7-8H,5-6,9-10H2,1-4H3