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

Systemtic Name: methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-(2-dodecanoylsulfanylethanoyl)amino]ethanoate Openeye Name: methyl 2-(3-bromo-N-(2-dodecanoylsulfanylacetyl)-2,6-dimethyl-anilino)acetate CAS Name: 2-(3-bromo-2,6-dimethyl-N-[1-oxo-2-(1-oxododecylthio)ethyl]anilino)acetic acid methyl ester IUPAC Name: methyl 2-(3-bromo-N-(2-dodecanoylsulfanylacetyl)-2,6-dimethylanilino)acetate Traditional Name: 2-(3-bromo-N-[2-(lauroylthio)acetyl]-2,6-dimethyl-anilino)acetic acid methyl ester Formula: C25H38BrNO4S MolecularWeight: 528.54252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38BrNO4S/c1-5-6-7-8-9-10-11-12-13-14-24(30)32-18-22(28)27(17-23(29)31-4)25-19(2)15-16-21(26)20(25)3/h15-16H,5-14,17-18H2,1-4H3