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

Systemtic Name: methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-(2-nonanoylsulfanylethanoyl)amino]ethanoate Openeye Name: methyl 2-(3-bromo-2,6-dimethyl-N-(2-nonanoylsulfanylacetyl)anilino)acetate CAS Name: 2-(3-bromo-2,6-dimethyl-N-[1-oxo-2-(1-oxononylthio)ethyl]anilino)acetic acid methyl ester IUPAC Name: methyl 2-(3-bromo-2,6-dimethyl-N-(2-nonanoylsulfanylacetyl)anilino)acetate Traditional Name: 2-(3-bromo-2,6-dimethyl-N-[2-(pelargonylthio)acetyl]anilino)acetic acid methyl ester Formula: C22H32BrNO4S MolecularWeight: 486.46278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32BrNO4S/c1-5-6-7-8-9-10-11-21(27)29-15-19(25)24(14-20(26)28-4)22-16(2)12-13-18(23)17(22)3/h12-13H,5-11,14-15H2,1-4H3