6-[2-[(3-chlorophenyl)methylsulfanyl]ethanoylamino]hexanoic acid

Systemtic Name: 6-[2-[(3-chlorophenyl)methylsulfanyl]ethanoylamino]hexanoic acid Openeye Name: 6-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]hexanoic acid CAS Name: 6-[[2-[(3-chlorophenyl)methylthio]-1-oxoethyl]amino]hexanoic acid IUPAC Name: 6-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]hexanoic acid Traditional Name: 6-[[2-[(3-chlorobenzyl)thio]acetyl]amino]hexanoic acid Formula: C15H20ClNO3S MolecularWeight: 329.8422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20ClNO3S/c16-13-6-4-5-12(9-13)10-21-11-14(18)17-8-3-1-2-7-15(19)20/h4-6,9H,1-3,7-8,10-11H2,(H,17,18)(H,19,20)