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

Systemtic Name: methyl 2-[(3-chloranyl-2,6-dimethyl-phenyl)-(2-undecanoylsulfanylethanoyl)amino]propanoate Openeye Name: methyl 2-(3-chloro-2,6-dimethyl-N-(2-undecanoylsulfanylacetyl)anilino)propanoate CAS Name: 2-(3-chloro-2,6-dimethyl-N-[1-oxo-2-(1-oxoundecylthio)ethyl]anilino)propanoic acid methyl ester IUPAC Name: methyl 2-(3-chloro-2,6-dimethyl-N-(2-undecanoylsulfanylacetyl)anilino)propanoate Traditional Name: 2-(3-chloro-2,6-dimethyl-N-[2-(undecanoylthio)acetyl]anilino)propionic acid methyl ester Formula: C25H38ClNO4S MolecularWeight: 484.09152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38ClNO4S/c1-6-7-8-9-10-11-12-13-14-23(29)32-17-22(28)27(20(4)25(30)31-5)24-18(2)15-16-21(26)19(24)3/h15-16,20H,6-14,17H2,1-5H3