6-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoylamino]hexanoic acid

Systemtic Name: 6-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoylamino]hexanoic acid Openeye Name: 6-[[2-[(5-chloro-2-thienyl)methylsulfanyl]acetyl]amino]hexanoic acid CAS Name: 6-[[2-[(5-chloro-2-thiophenyl)methylthio]-1-oxoethyl]amino]hexanoic acid IUPAC Name: 6-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]hexanoic acid Traditional Name: 6-[[2-[(5-chloro-2-thienyl)methylthio]acetyl]amino]hexanoic acid Formula: C13H18ClNO3S2 MolecularWeight: 335.86992

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)Cl)CSCC(=O)NCCCCCC(=O)O

Isomeric SMILES

C1=C(SC(=C1)Cl)CSCC(=O)NCCCCCC(=O)O

InChI

InChI=1S/C13H18ClNO3S2/c14-11-6-5-10(20-11)8-19-9-12(16)15-7-3-1-2-4-13(17)18/h5-6H,1-4,7-9H2,(H,15,16)(H,17,18)