methyl 2-[(2,6-dimethylphenyl)-(2-nonanoylsulfanylethanoyl)amino]ethanoate

Systemtic Name: methyl 2-[(2,6-dimethylphenyl)-(2-nonanoylsulfanylethanoyl)amino]ethanoate Openeye Name: methyl 2-(2,6-dimethyl-N-(2-nonanoylsulfanylacetyl)anilino)acetate CAS Name: 2-(2,6-dimethyl-N-[1-oxo-2-(1-oxononylthio)ethyl]anilino)acetic acid methyl ester IUPAC Name: methyl 2-(2,6-dimethyl-N-(2-nonanoylsulfanylacetyl)anilino)acetate Traditional Name: 2-(2,6-dimethyl-N-[2-(pelargonylthio)acetyl]anilino)acetic acid methyl ester Formula: C22H33NO4S MolecularWeight: 407.56672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33NO4S/c1-5-6-7-8-9-10-14-21(26)28-16-19(24)23(15-20(25)27-4)22-17(2)12-11-13-18(22)3/h11-13H,5-10,14-16H2,1-4H3