3-[(3,5-dimethyl-4-methylsulfanyl-phenoxy)carbonylamino]propanoic acid

Systemtic Name: 3-[(3,5-dimethyl-4-methylsulfanyl-phenoxy)carbonylamino]propanoic acid Openeye Name: 3-[(3,5-dimethyl-4-methylsulfanyl-phenoxy)carbonylamino]propanoic acid CAS Name: 3-[[[3,5-dimethyl-4-(methylthio)phenoxy]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(3,5-dimethyl-4-methylsulfanylphenoxy)carbonylamino]propanoic acid Traditional Name: 3-[[3,5-dimethyl-4-(methylthio)phenoxy]carbonylamino]propionic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1SC)C)OC(=O)NCCC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1SC)C)OC(=O)NCCC(=O)O

InChI

InChI=1S/C13H17NO4S/c1-8-6-10(7-9(2)12(8)19-3)18-13(17)14-5-4-11(15)16/h6-7H,4-5H2,1-3H3,(H,14,17)(H,15,16)