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

Systemtic Name: 2-[3-(3-chloranylphenoxy)propanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[3-(3-chlorophenoxy)propanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[3-(3-chlorophenoxy)-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[3-(3-chlorophenoxy)propanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[3-(3-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=C1)Cl

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CCOC1=CC(=CC=C1)Cl

InChI

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