4-[[[4-(1,3-benzodioxol-5-yloxy)-1,3-thiazol-5-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[4-(1,3-benzodioxol-5-yloxy)-1,3-thiazol-5-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[4-(1,3-benzodioxol-5-yloxy)thiazole-5-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[[4-(1,3-benzodioxol-5-yloxy)-5-thiazolyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[4-(1,3-benzodioxol-5-yloxy)-1,3-thiazole-5-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[4-(1,3-benzodioxol-5-yloxy)thiazole-5-carbonyl]amino]methyl]benzoic acid Formula: C19H14N2O6S MolecularWeight: 398.38926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OC3=C(SC=N3)C(=O)NCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OC3=C(SC=N3)C(=O)NCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C19H14N2O6S/c22-17(20-8-11-1-3-12(4-2-11)19(23)24)16-18(21-9-28-16)27-13-5-6-14-15(7-13)26-10-25-14/h1-7,9H,8,10H2,(H,20,22)(H,23,24)