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

Systemtic Name: methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-(2-decanoylsulfanylethanoyl)amino]ethanoate Openeye Name: methyl 2-(3-bromo-N-(2-decanoylsulfanylacetyl)-2,6-dimethyl-anilino)acetate CAS Name: 2-(3-bromo-2,6-dimethyl-N-[1-oxo-2-(1-oxodecylthio)ethyl]anilino)acetic acid methyl ester IUPAC Name: methyl 2-(3-bromo-N-(2-decanoylsulfanylacetyl)-2,6-dimethylanilino)acetate Traditional Name: 2-(3-bromo-N-[2-(caprylthio)acetyl]-2,6-dimethyl-anilino)acetic acid methyl ester Formula: C23H34BrNO4S MolecularWeight: 500.48936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34BrNO4S/c1-5-6-7-8-9-10-11-12-22(28)30-16-20(26)25(15-21(27)29-4)23-17(2)13-14-19(24)18(23)3/h13-14H,5-12,15-16H2,1-4H3