2-[2-(4-chloranylphenoxy)propanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-(4-chloranylphenoxy)propanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[2-(4-chlorophenoxy)propanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-(4-chlorophenoxy)-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[2-(4-chlorophenoxy)propanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[2-(4-chlorophenoxy)propanoylamino]-4-(methylthio)butyric acid Formula: C14H18ClNO4S MolecularWeight: 331.81502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCSC)C(=O)O)OC1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C(=O)NC(CCSC)C(=O)O)OC1=CC=C(C=C1)Cl

InChI

InChI=1S/C14H18ClNO4S/c1-9(20-11-5-3-10(15)4-6-11)13(17)16-12(14(18)19)7-8-21-2/h3-6,9,12H,7-8H2,1-2H3,(H,16,17)(H,18,19)