4-[3-(2-chlorophenyl)sulfanylpropanoylamino]butanoic acid

Systemtic Name: 4-[3-(2-chlorophenyl)sulfanylpropanoylamino]butanoic acid Openeye Name: 4-[3-(2-chlorophenyl)sulfanylpropanoylamino]butanoic acid CAS Name: 4-[[3-[(2-chlorophenyl)thio]-1-oxopropyl]amino]butanoic acid IUPAC Name: 4-[3-(2-chlorophenyl)sulfanylpropanoylamino]butanoic acid Traditional Name: 4-[3-[(2-chlorophenyl)thio]propanoylamino]butyric acid Formula: C13H16ClNO3S MolecularWeight: 301.78904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO3S/c14-10-4-1-2-5-11(10)19-9-7-12(16)15-8-3-6-13(17)18/h1-2,4-5H,3,6-9H2,(H,15,16)(H,17,18)