2-(2-thiophen-2-ylsulfanylethanoylamino)hexanoic acid

Systemtic Name: 2-(2-thiophen-2-ylsulfanylethanoylamino)hexanoic acid Openeye Name: 2-[[2-(2-thienylsulfanyl)acetyl]amino]hexanoic acid CAS Name: 2-[[1-oxo-2-(thiophen-2-ylthio)ethyl]amino]hexanoic acid IUPAC Name: 2-[(2-thiophen-2-ylsulfanylacetyl)amino]hexanoic acid Traditional Name: 2-[[2-(2-thienylthio)acetyl]amino]hexanoic acid Formula: C12H17NO3S2 MolecularWeight: 287.39828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)CSC1=CC=CS1

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)CSC1=CC=CS1

InChI

InChI=1S/C12H17NO3S2/c1-2-3-5-9(12(15)16)13-10(14)8-18-11-6-4-7-17-11/h4,6-7,9H,2-3,5,8H2,1H3,(H,13,14)(H,15,16)