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

Systemtic Name: methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-[2-(2-ethylhexanoylsulfanyl)ethanoyl]amino]ethanoate Openeye Name: methyl 2-(3-bromo-N-[2-(2-ethylhexanoylsulfanyl)acetyl]-2,6-dimethyl-anilino)acetate CAS Name: 2-(3-bromo-N-[2-[(2-ethyl-1-oxohexyl)thio]-1-oxoethyl]-2,6-dimethylanilino)acetic acid methyl ester IUPAC Name: methyl 2-(3-bromo-N-[2-(2-ethylhexanoylsulfanyl)acetyl]-2,6-dimethylanilino)acetate Traditional Name: 2-(3-bromo-N-[2-(2-ethylhexanoylthio)acetyl]-2,6-dimethyl-anilino)acetic acid methyl ester Formula: C21H30BrNO4S MolecularWeight: 472.4362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30BrNO4S/c1-6-8-9-16(7-2)21(26)28-13-18(24)23(12-19(25)27-5)20-14(3)10-11-17(22)15(20)4/h10-11,16H,6-9,12-13H2,1-5H3