2-[2-[2,6-bis(chloranyl)phenyl]ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-[2,6-bis(chloranyl)phenyl]ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-(2,6-dichlorophenyl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-4-(methylthio)butyric acid Formula: C13H15Cl2NO3S MolecularWeight: 336.2341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CC1=C(C=CC=C1Cl)Cl

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CC1=C(C=CC=C1Cl)Cl

InChI

InChI=1S/C13H15Cl2NO3S/c1-20-6-5-11(13(18)19)16-12(17)7-8-9(14)3-2-4-10(8)15/h2-4,11H,5-7H2,1H3,(H,16,17)(H,18,19)