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

Systemtic Name: methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-(2-decanoylsulfanylethanoyl)amino]propanoate Openeye Name: methyl 2-(3-bromo-N-(2-decanoylsulfanylacetyl)-2,6-dimethyl-anilino)propanoate CAS Name: 2-(3-bromo-2,6-dimethyl-N-[1-oxo-2-(1-oxodecylthio)ethyl]anilino)propanoic acid methyl ester IUPAC Name: methyl 2-(3-bromo-N-(2-decanoylsulfanylacetyl)-2,6-dimethylanilino)propanoate Traditional Name: 2-(3-bromo-N-[2-(caprylthio)acetyl]-2,6-dimethyl-anilino)propionic acid methyl ester Formula: C24H36BrNO4S MolecularWeight: 514.51594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36BrNO4S/c1-6-7-8-9-10-11-12-13-22(28)31-16-21(27)26(19(4)24(29)30-5)23-17(2)14-15-20(25)18(23)3/h14-15,19H,6-13,16H2,1-5H3