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

Systemtic Name: methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-(2-tetradecanoylsulfanylethanoyl)amino]propanoate Openeye Name: methyl 2-(3-bromo-2,6-dimethyl-N-(2-tetradecanoylsulfanylacetyl)anilino)propanoate CAS Name: 2-(3-bromo-2,6-dimethyl-N-[1-oxo-2-(1-oxotetradecylthio)ethyl]anilino)propanoic acid methyl ester IUPAC Name: methyl 2-(3-bromo-2,6-dimethyl-N-(2-tetradecanoylsulfanylacetyl)anilino)propanoate Traditional Name: 2-(3-bromo-2,6-dimethyl-N-[2-(tetradecanoylthio)acetyl]anilino)propionic acid methyl ester Formula: C28H44BrNO4S MolecularWeight: 570.62226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H44BrNO4S/c1-6-7-8-9-10-11-12-13-14-15-16-17-26(32)35-20-25(31)30(23(4)28(33)34-5)27-21(2)18-19-24(29)22(27)3/h18-19,23H,6-17,20H2,1-5H3