methyl 2-[(3-chloranyl-2,6-dimethyl-phenyl)-(2-dodecanoylsulfanylethanoyl)amino]propanoate

Systemtic Name: methyl 2-[(3-chloranyl-2,6-dimethyl-phenyl)-(2-dodecanoylsulfanylethanoyl)amino]propanoate Openeye Name: methyl 2-(3-chloro-N-(2-dodecanoylsulfanylacetyl)-2,6-dimethyl-anilino)propanoate CAS Name: 2-(3-chloro-2,6-dimethyl-N-[1-oxo-2-(1-oxododecylthio)ethyl]anilino)propanoic acid methyl ester IUPAC Name: methyl 2-(3-chloro-N-(2-dodecanoylsulfanylacetyl)-2,6-dimethylanilino)propanoate Traditional Name: 2-(3-chloro-N-[2-(lauroylthio)acetyl]-2,6-dimethyl-anilino)propionic acid methyl ester Formula: C26H40ClNO4S MolecularWeight: 498.1181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)SCC(=O)N(C1=C(C=CC(=C1C)Cl)C)C(C)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCC(=O)SCC(=O)N(C1=C(C=CC(=C1C)Cl)C)C(C)C(=O)OC

InChI

InChI=1S/C26H40ClNO4S/c1-6-7-8-9-10-11-12-13-14-15-24(30)33-18-23(29)28(21(4)26(31)32-5)25-19(2)16-17-22(27)20(25)3/h16-17,21H,6-15,18H2,1-5H3