2-[3-(2-chloranylphenoxy)propanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[3-(2-chloranylphenoxy)propanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[3-(2-chlorophenoxy)propanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[3-(2-chlorophenoxy)-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[3-(2-chlorophenoxy)propanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[3-(2-chlorophenoxy)propanoylamino]-4-(methylthio)butyric acid Formula: C14H18ClNO4S MolecularWeight: 331.81502

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CCOC1=CC=CC=C1Cl

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CCOC1=CC=CC=C1Cl

InChI

InChI=1S/C14H18ClNO4S/c1-21-9-7-11(14(18)19)16-13(17)6-8-20-12-5-3-2-4-10(12)15/h2-5,11H,6-9H2,1H3,(H,16,17)(H,18,19)