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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20ClNO3S/c1-2-3-4-13(15(19)20)17-14(18)10-21-9-11-5-7-12(16)8-6-11/h5-8,13H,2-4,9-10H2,1H3,(H,17,18)(H,19,20)