methyl 2-[2-propanoylsulfanylethanoyl-(2,3,6-trimethylphenyl)amino]propanoate

Systemtic Name: methyl 2-[2-propanoylsulfanylethanoyl-(2,3,6-trimethylphenyl)amino]propanoate Openeye Name: methyl 2-(2,3,6-trimethyl-N-(2-propanoylsulfanylacetyl)anilino)propanoate CAS Name: 2-(2,3,6-trimethyl-N-[1-oxo-2-(1-oxopropylthio)ethyl]anilino)propanoic acid methyl ester IUPAC Name: methyl 2-(2,3,6-trimethyl-N-(2-propanoylsulfanylacetyl)anilino)propanoate Traditional Name: 2-(2,3,6-trimethyl-N-[2-(propionylthio)acetyl]anilino)propionic acid methyl ester Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO4S/c1-7-16(21)24-10-15(20)19(14(5)18(22)23-6)17-12(3)9-8-11(2)13(17)4/h8-9,14H,7,10H2,1-6H3