6-[2-(thiophen-2-ylmethylsulfanyl)ethanoylamino]hexanoic acid

Systemtic Name: 6-[2-(thiophen-2-ylmethylsulfanyl)ethanoylamino]hexanoic acid Openeye Name: 6-[[2-(2-thienylmethylsulfanyl)acetyl]amino]hexanoic acid CAS Name: 6-[[1-oxo-2-(thiophen-2-ylmethylthio)ethyl]amino]hexanoic acid IUPAC Name: 6-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]hexanoic acid Traditional Name: 6-[[2-(2-thenylthio)acetyl]amino]hexanoic acid Formula: C13H19NO3S2 MolecularWeight: 301.42486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CSCC(=O)NCCCCCC(=O)O

Isomeric SMILES

C1=CSC(=C1)CSCC(=O)NCCCCCC(=O)O

InChI

InChI=1S/C13H19NO3S2/c15-12(10-18-9-11-5-4-8-19-11)14-7-3-1-2-6-13(16)17/h4-5,8H,1-3,6-7,9-10H2,(H,14,15)(H,16,17)