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

Systemtic Name: 4-[(3,5-dimethyl-4-methylsulfanyl-phenoxy)carbonylamino]butanoic acid Openeye Name: 4-[(3,5-dimethyl-4-methylsulfanyl-phenoxy)carbonylamino]butanoic acid CAS Name: 4-[[[3,5-dimethyl-4-(methylthio)phenoxy]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[(3,5-dimethyl-4-methylsulfanylphenoxy)carbonylamino]butanoic acid Traditional Name: 4-[[3,5-dimethyl-4-(methylthio)phenoxy]carbonylamino]butyric acid Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4S/c1-9-7-11(8-10(2)13(9)20-3)19-14(18)15-6-4-5-12(16)17/h7-8H,4-6H2,1-3H3,(H,15,18)(H,16,17)