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

Systemtic Name: methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-(2-hexadecanoylsulfanylethanoyl)amino]ethanoate Openeye Name: methyl 2-(3-bromo-N-(2-hexadecanoylsulfanylacetyl)-2,6-dimethyl-anilino)acetate CAS Name: 2-(3-bromo-2,6-dimethyl-N-[1-oxo-2-(1-oxohexadecylthio)ethyl]anilino)acetic acid methyl ester IUPAC Name: methyl 2-(3-bromo-N-(2-hexadecanoylsulfanylacetyl)-2,6-dimethylanilino)acetate Traditional Name: 2-(3-bromo-N-[2-(hexadecanoylthio)acetyl]-2,6-dimethyl-anilino)acetic acid methyl ester Formula: C29H46BrNO4S MolecularWeight: 584.64884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H46BrNO4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28(34)36-22-26(32)31(21-27(33)35-4)29-23(2)19-20-25(30)24(29)3/h19-20H,5-18,21-22H2,1-4H3