4-[2-(4-chlorophenyl)sulfanylpropanoylamino]butanoic acid

Systemtic Name: 4-[2-(4-chlorophenyl)sulfanylpropanoylamino]butanoic acid Openeye Name: 4-[2-(4-chlorophenyl)sulfanylpropanoylamino]butanoic acid CAS Name: 4-[[2-[(4-chlorophenyl)thio]-1-oxopropyl]amino]butanoic acid IUPAC Name: 4-[2-(4-chlorophenyl)sulfanylpropanoylamino]butanoic acid Traditional Name: 4-[2-[(4-chlorophenyl)thio]propanoylamino]butyric acid Formula: C13H16ClNO3S MolecularWeight: 301.78904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCC(=O)O)SC1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C(=O)NCCCC(=O)O)SC1=CC=C(C=C1)Cl

InChI

InChI=1S/C13H16ClNO3S/c1-9(13(18)15-8-2-3-12(16)17)19-11-6-4-10(14)5-7-11/h4-7,9H,2-3,8H2,1H3,(H,15,18)(H,16,17)