2-[2-(3,4-dimethylphenoxy)ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-(3,4-dimethylphenoxy)ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-(3,4-dimethylphenoxy)-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4-(methylthio)butyric acid Formula: C15H21NO4S MolecularWeight: 311.39654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(=O)NC(CCSC)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC(=O)NC(CCSC)C(=O)O)C

InChI

InChI=1S/C15H21NO4S/c1-10-4-5-12(8-11(10)2)20-9-14(17)16-13(15(18)19)6-7-21-3/h4-5,8,13H,6-7,9H2,1-3H3,(H,16,17)(H,18,19)