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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO3S/c1-8(7-12(16)17)15-13(18)9(2)19-11-5-3-10(14)4-6-11/h3-6,8-9H,7H2,1-2H3,(H,15,18)(H,16,17)