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

Systemtic Name: methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-[2-(2-ethylhexanoylsulfanyl)ethanoyl]amino]propanoate Openeye Name: methyl 2-(3-bromo-N-[2-(2-ethylhexanoylsulfanyl)acetyl]-2,6-dimethyl-anilino)propanoate CAS Name: 2-(3-bromo-N-[2-[(2-ethyl-1-oxohexyl)thio]-1-oxoethyl]-2,6-dimethylanilino)propanoic acid methyl ester IUPAC Name: methyl 2-(3-bromo-N-[2-(2-ethylhexanoylsulfanyl)acetyl]-2,6-dimethylanilino)propanoate Traditional Name: 2-(3-bromo-N-[2-(2-ethylhexanoylthio)acetyl]-2,6-dimethyl-anilino)propionic acid methyl ester Formula: C22H32BrNO4S MolecularWeight: 486.46278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32BrNO4S/c1-7-9-10-17(8-2)22(27)29-13-19(25)24(16(5)21(26)28-6)20-14(3)11-12-18(23)15(20)4/h11-12,16-17H,7-10,13H2,1-6H3