7-(2-thiophen-2-ylsulfanylethanoylamino)heptanoic acid

Systemtic Name: 7-(2-thiophen-2-ylsulfanylethanoylamino)heptanoic acid Openeye Name: 7-[[2-(2-thienylsulfanyl)acetyl]amino]heptanoic acid CAS Name: 7-[[1-oxo-2-(thiophen-2-ylthio)ethyl]amino]heptanoic acid IUPAC Name: 7-[(2-thiophen-2-ylsulfanylacetyl)amino]heptanoic acid Traditional Name: 7-[[2-(2-thienylthio)acetyl]amino]enanthic acid Formula: C13H19NO3S2 MolecularWeight: 301.42486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)SCC(=O)NCCCCCCC(=O)O

Isomeric SMILES

C1=CSC(=C1)SCC(=O)NCCCCCCC(=O)O

InChI

InChI=1S/C13H19NO3S2/c15-11(10-19-13-7-5-9-18-13)14-8-4-2-1-3-6-12(16)17/h5,7,9H,1-4,6,8,10H2,(H,14,15)(H,16,17)