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

Systemtic Name: methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-(2-cyclohexylcarbonylsulfanylethanoyl)amino]propanoate Openeye Name: methyl 2-(3-bromo-N-[2-(cyclohexanecarbonylsulfanyl)acetyl]-2,6-dimethyl-anilino)propanoate CAS Name: 2-(3-bromo-N-[2-[[cyclohexyl(oxo)methyl]thio]-1-oxoethyl]-2,6-dimethylanilino)propanoic acid methyl ester IUPAC Name: methyl 2-(3-bromo-N-[2-(cyclohexanecarbonylsulfanyl)acetyl]-2,6-dimethylanilino)propanoate Traditional Name: 2-(3-bromo-N-[2-(cyclohexanecarbonylthio)acetyl]-2,6-dimethyl-anilino)propionic acid methyl ester Formula: C21H28BrNO4S MolecularWeight: 470.42032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)Br)C)N(C(C)C(=O)OC)C(=O)CSC(=O)C2CCCCC2

Isomeric SMILES

CC1=C(C(=C(C=C1)Br)C)N(C(C)C(=O)OC)C(=O)CSC(=O)C2CCCCC2

InChI

InChI=1S/C21H28BrNO4S/c1-13-10-11-17(22)14(2)19(13)23(15(3)20(25)27-4)18(24)12-28-21(26)16-8-6-5-7-9-16/h10-11,15-16H,5-9,12H2,1-4H3