2-(2-nitro-1-thiophen-2-yl-ethyl)sulfanylethanoic acid

Systemtic Name: 2-(2-nitro-1-thiophen-2-yl-ethyl)sulfanylethanoic acid Openeye Name: 2-[2-nitro-1-(2-thienyl)ethyl]sulfanylacetic acid CAS Name: 2-[(2-nitro-1-thiophen-2-ylethyl)thio]acetic acid IUPAC Name: 2-(2-nitro-1-thiophen-2-ylethyl)sulfanylacetic acid Traditional Name: 2-[[2-nitro-1-(2-thienyl)ethyl]thio]acetic acid Formula: C8H9NO4S2 MolecularWeight: 247.29136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(C[N+](=O)[O-])SCC(=O)O

Isomeric SMILES

C1=CSC(=C1)C(C[N+](=O)[O-])SCC(=O)O

InChI

InChI=1S/C8H9NO4S2/c10-8(11)5-15-7(4-9(12)13)6-2-1-3-14-6/h1-3,7H,4-5H2,(H,10,11)