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

Systemtic Name: methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-(2-undecanoylsulfanylethanoyl)amino]ethanoate Openeye Name: methyl 2-(3-bromo-2,6-dimethyl-N-(2-undecanoylsulfanylacetyl)anilino)acetate CAS Name: 2-(3-bromo-2,6-dimethyl-N-[1-oxo-2-(1-oxoundecylthio)ethyl]anilino)acetic acid methyl ester IUPAC Name: methyl 2-(3-bromo-2,6-dimethyl-N-(2-undecanoylsulfanylacetyl)anilino)acetate Traditional Name: 2-(3-bromo-2,6-dimethyl-N-[2-(undecanoylthio)acetyl]anilino)acetic acid methyl ester Formula: C24H36BrNO4S MolecularWeight: 514.51594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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