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

Systemtic Name: methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-(2-octadecanoylsulfanylethanoyl)amino]propanoate Openeye Name: methyl 2-(3-bromo-2,6-dimethyl-N-(2-octadecanoylsulfanylacetyl)anilino)propanoate CAS Name: 2-(3-bromo-2,6-dimethyl-N-[1-oxo-2-(1-oxooctadecylthio)ethyl]anilino)propanoic acid methyl ester IUPAC Name: methyl 2-(3-bromo-2,6-dimethyl-N-(2-octadecanoylsulfanylacetyl)anilino)propanoate Traditional Name: 2-(3-bromo-2,6-dimethyl-N-[2-(stearoylthio)acetyl]anilino)propionic acid methyl ester Formula: C32H52BrNO4S MolecularWeight: 626.72858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H52BrNO4S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30(36)39-24-29(35)34(27(4)32(37)38-5)31-25(2)22-23-28(33)26(31)3/h22-23,27H,6-21,24H2,1-5H3