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

Systemtic Name: 3-[3-(4-chlorophenyl)sulfanylpropanoylamino]butanoic acid Openeye Name: 3-[3-(4-chlorophenyl)sulfanylpropanoylamino]butanoic acid CAS Name: 3-[[3-[(4-chlorophenyl)thio]-1-oxopropyl]amino]butanoic acid IUPAC Name: 3-[3-(4-chlorophenyl)sulfanylpropanoylamino]butanoic acid Traditional Name: 3-[3-[(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)CCSC1=CC=C(C=C1)Cl

Isomeric SMILES

CC(CC(=O)O)NC(=O)CCSC1=CC=C(C=C1)Cl

InChI

InChI=1S/C13H16ClNO3S/c1-9(8-13(17)18)15-12(16)6-7-19-11-4-2-10(14)3-5-11/h2-5,9H,6-8H2,1H3,(H,15,16)(H,17,18)