2-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-(4-chloro-3,5-dimethylphenoxy)-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]-4-(methylthio)butyric acid Formula: C15H20ClNO4S MolecularWeight: 345.8416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C15H20ClNO4S/c1-9-6-11(7-10(2)14(9)16)21-8-13(18)17-12(15(19)20)4-5-22-3/h6-7,12H,4-5,8H2,1-3H3,(H,17,18)(H,19,20)