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

Systemtic Name: methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-(2-tetradecanoylsulfanylethanoyl)amino]ethanoate Openeye Name: methyl 2-(3-bromo-2,6-dimethyl-N-(2-tetradecanoylsulfanylacetyl)anilino)acetate CAS Name: 2-(3-bromo-2,6-dimethyl-N-[1-oxo-2-(1-oxotetradecylthio)ethyl]anilino)acetic acid methyl ester IUPAC Name: methyl 2-(3-bromo-2,6-dimethyl-N-(2-tetradecanoylsulfanylacetyl)anilino)acetate Traditional Name: 2-(3-bromo-2,6-dimethyl-N-[2-(tetradecanoylthio)acetyl]anilino)acetic acid methyl ester Formula: C27H42BrNO4S MolecularWeight: 556.59568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H42BrNO4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-26(32)34-20-24(30)29(19-25(31)33-4)27-21(2)17-18-23(28)22(27)3/h17-18H,5-16,19-20H2,1-4H3