6-[2-[(4-chlorophenyl)methylsulfanyl]ethanoylamino]hexanoic acid

Systemtic Name: 6-[2-[(4-chlorophenyl)methylsulfanyl]ethanoylamino]hexanoic acid Openeye Name: 6-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]hexanoic acid CAS Name: 6-[[2-[(4-chlorophenyl)methylthio]-1-oxoethyl]amino]hexanoic acid IUPAC Name: 6-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]hexanoic acid Traditional Name: 6-[[2-[(4-chlorobenzyl)thio]acetyl]amino]hexanoic acid Formula: C15H20ClNO3S MolecularWeight: 329.8422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC(=O)NCCCCCC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1CSCC(=O)NCCCCCC(=O)O)Cl

InChI

InChI=1S/C15H20ClNO3S/c16-13-7-5-12(6-8-13)10-21-11-14(18)17-9-3-1-2-4-15(19)20/h5-8H,1-4,9-11H2,(H,17,18)(H,19,20)