4-methylsulfanyl-2-[2-(2,3,6-trimethylphenoxy)ethanoylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[2-(2,3,6-trimethylphenoxy)ethanoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-2-(2,3,6-trimethylphenoxy)ethyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]butyric acid Formula: C16H23NO4S MolecularWeight: 325.42312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OCC(=O)NC(CCSC)C(=O)O)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OCC(=O)NC(CCSC)C(=O)O)C

InChI

InChI=1S/C16H23NO4S/c1-10-5-6-11(2)15(12(10)3)21-9-14(18)17-13(16(19)20)7-8-22-4/h5-6,13H,7-9H2,1-4H3,(H,17,18)(H,19,20)