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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)CSCC1=CC(=CC=C1)Cl

Isomeric SMILES

CCC(C(=O)O)NC(=O)CSCC1=CC(=CC=C1)Cl

InChI

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