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

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

CCCCC(C(=O)O)NC(=O)CSCC1=CC=C(S1)Cl

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)CSCC1=CC=C(S1)Cl

InChI

InChI=1S/C13H18ClNO3S2/c1-2-3-4-10(13(17)18)15-12(16)8-19-7-9-5-6-11(14)20-9/h5-6,10H,2-4,7-8H2,1H3,(H,15,16)(H,17,18)