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

Systemtic Name: methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-(2-cyclohexylcarbonylsulfanylethanoyl)amino]ethanoate Openeye Name: methyl 2-(3-bromo-N-[2-(cyclohexanecarbonylsulfanyl)acetyl]-2,6-dimethyl-anilino)acetate CAS Name: 2-(3-bromo-N-[2-[[cyclohexyl(oxo)methyl]thio]-1-oxoethyl]-2,6-dimethylanilino)acetic acid methyl ester IUPAC Name: methyl 2-(3-bromo-N-[2-(cyclohexanecarbonylsulfanyl)acetyl]-2,6-dimethylanilino)acetate Traditional Name: 2-(3-bromo-N-[2-(cyclohexanecarbonylthio)acetyl]-2,6-dimethyl-anilino)acetic acid methyl ester Formula: C20H26BrNO4S MolecularWeight: 456.39374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26BrNO4S/c1-13-9-10-16(21)14(2)19(13)22(11-18(24)26-3)17(23)12-27-20(25)15-7-5-4-6-8-15/h9-10,15H,4-8,11-12H2,1-3H3