[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-(1,3-thiazol-4-ylmethoxy)benzoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-(1,3-thiazol-4-ylmethoxy)benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 3-(thiazol-4-ylmethoxy)benzoate CAS Name: 3-(4-thiazolylmethoxy)benzoic acid [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 3-(1,3-thiazol-4-ylmethoxy)benzoate Traditional Name: 3-(thiazol-4-ylmethoxy)benzoic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C22H20N2O6S MolecularWeight: 440.469

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC(=CC=C3)OCC4=CSC=N4

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC(=CC=C3)OCC4=CSC=N4

InChI

InChI=1S/C22H20N2O6S/c1-14(21(25)23-9-15-5-6-19-20(7-15)29-13-28-19)30-22(26)16-3-2-4-18(8-16)27-10-17-11-31-12-24-17/h2-8,11-12,14H,9-10,13H2,1H3,(H,23,25)