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

Systemtic Name: methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-(2-hexadecanoylsulfanylethanoyl)amino]propanoate Openeye Name: methyl 2-(3-bromo-N-(2-hexadecanoylsulfanylacetyl)-2,6-dimethyl-anilino)propanoate CAS Name: 2-(3-bromo-2,6-dimethyl-N-[1-oxo-2-(1-oxohexadecylthio)ethyl]anilino)propanoic acid methyl ester IUPAC Name: methyl 2-(3-bromo-N-(2-hexadecanoylsulfanylacetyl)-2,6-dimethylanilino)propanoate Traditional Name: 2-(3-bromo-N-[2-(hexadecanoylthio)acetyl]-2,6-dimethyl-anilino)propionic acid methyl ester Formula: C30H48BrNO4S MolecularWeight: 598.67542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H48BrNO4S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(34)37-22-27(33)32(25(4)30(35)36-5)29-23(2)20-21-26(31)24(29)3/h20-21,25H,6-19,22H2,1-5H3