2-[2-(1,3-benzodioxol-5-ylmethylamino)-1,3-thiazol-4-yl]ethanoate

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-1,3-thiazol-4-yl]ethanoate Openeye Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)thiazol-4-yl]acetate CAS Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-4-thiazolyl]acetate IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-(piperonylamino)thiazol-4-yl]acetate Formula: C13H11N2O4S- MolecularWeight: 291.30244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=CS3)CC(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=CS3)CC(=O)[O-]

InChI

InChI=1S/C13H12N2O4S/c16-12(17)4-9-6-20-13(15-9)14-5-8-1-2-10-11(3-8)19-7-18-10/h1-3,6H,4-5,7H2,(H,14,15)(H,16,17)/p-1