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

Systemtic Name: methyl 2-[2-butanoylsulfanylethanoyl-(3-chloranyl-2,6-dimethyl-phenyl)amino]propanoate Openeye Name: methyl 2-(N-(2-butanoylsulfanylacetyl)-3-chloro-2,6-dimethyl-anilino)propanoate CAS Name: 2-(3-chloro-2,6-dimethyl-N-[1-oxo-2-(1-oxobutylthio)ethyl]anilino)propanoic acid methyl ester IUPAC Name: methyl 2-(N-(2-butanoylsulfanylacetyl)-3-chloro-2,6-dimethylanilino)propanoate Traditional Name: 2-(N-[2-(butyrylthio)acetyl]-3-chloro-2,6-dimethyl-anilino)propionic acid methyl ester Formula: C18H24ClNO4S MolecularWeight: 385.90546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24ClNO4S/c1-6-7-16(22)25-10-15(21)20(13(4)18(23)24-5)17-11(2)8-9-14(19)12(17)3/h8-9,13H,6-7,10H2,1-5H3