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

Systemtic Name: methyl 2-[(3-chloranyl-2,6-dimethyl-phenyl)-(2-nonanoylsulfanylethanoyl)amino]propanoate Openeye Name: methyl 2-(3-chloro-2,6-dimethyl-N-(2-nonanoylsulfanylacetyl)anilino)propanoate CAS Name: 2-(3-chloro-2,6-dimethyl-N-[1-oxo-2-(1-oxononylthio)ethyl]anilino)propanoic acid methyl ester IUPAC Name: methyl 2-(3-chloro-2,6-dimethyl-N-(2-nonanoylsulfanylacetyl)anilino)propanoate Traditional Name: 2-(3-chloro-2,6-dimethyl-N-[2-(pelargonylthio)acetyl]anilino)propionic acid methyl ester Formula: C23H34ClNO4S MolecularWeight: 456.03836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34ClNO4S/c1-6-7-8-9-10-11-12-21(27)30-15-20(26)25(18(4)23(28)29-5)22-16(2)13-14-19(24)17(22)3/h13-14,18H,6-12,15H2,1-5H3