3-[(3-methyl-4-methylsulfanyl-phenoxy)carbonylamino]propanoic acid

Systemtic Name: 3-[(3-methyl-4-methylsulfanyl-phenoxy)carbonylamino]propanoic acid Openeye Name: 3-[(3-methyl-4-methylsulfanyl-phenoxy)carbonylamino]propanoic acid CAS Name: 3-[[[3-methyl-4-(methylthio)phenoxy]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(3-methyl-4-methylsulfanylphenoxy)carbonylamino]propanoic acid Traditional Name: 3-[[3-methyl-4-(methylthio)phenoxy]carbonylamino]propionic acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(=O)NCCC(=O)O)SC

Isomeric SMILES

CC1=C(C=CC(=C1)OC(=O)NCCC(=O)O)SC

InChI

InChI=1S/C12H15NO4S/c1-8-7-9(3-4-10(8)18-2)17-12(16)13-6-5-11(14)15/h3-4,7H,5-6H2,1-2H3,(H,13,16)(H,14,15)