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

Systemtic Name: 2-[3-(2,4-dichlorophenyl)propanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[3-(2,4-dichlorophenyl)propanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[3-(2,4-dichlorophenyl)-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[3-(2,4-dichlorophenyl)propanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[3-(2,4-dichlorophenyl)propanoylamino]-4-(methylthio)butyric acid Formula: C14H17Cl2NO3S MolecularWeight: 350.26068

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CCC1=C(C=C(C=C1)Cl)Cl

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CCC1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C14H17Cl2NO3S/c1-21-7-6-12(14(19)20)17-13(18)5-3-9-2-4-10(15)8-11(9)16/h2,4,8,12H,3,5-7H2,1H3,(H,17,18)(H,19,20)