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

Systemtic Name: 4-[(3-methyl-4-methylsulfanyl-phenoxy)carbonylamino]butanoic acid Openeye Name: 4-[(3-methyl-4-methylsulfanyl-phenoxy)carbonylamino]butanoic acid CAS Name: 4-[[[3-methyl-4-(methylthio)phenoxy]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[(3-methyl-4-methylsulfanylphenoxy)carbonylamino]butanoic acid Traditional Name: 4-[[3-methyl-4-(methylthio)phenoxy]carbonylamino]butyric acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4S/c1-9-8-10(5-6-11(9)19-2)18-13(17)14-7-3-4-12(15)16/h5-6,8H,3-4,7H2,1-2H3,(H,14,17)(H,15,16)