4-[2-[(3-chlorophenyl)methylsulfanyl]ethanoylamino]butanoic acid

Systemtic Name: 4-[2-[(3-chlorophenyl)methylsulfanyl]ethanoylamino]butanoic acid Openeye Name: 4-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]butanoic acid CAS Name: 4-[[2-[(3-chlorophenyl)methylthio]-1-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]butanoic acid Traditional Name: 4-[[2-[(3-chlorobenzyl)thio]acetyl]amino]butyric acid Formula: C13H16ClNO3S MolecularWeight: 301.78904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CSCC(=O)NCCCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CSCC(=O)NCCCC(=O)O

InChI

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