2-(1,3-benzodioxol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-methyl-thiazole-5-carboxylic acid Formula: C12H9NO4S MolecularWeight: 263.26916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)C2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C12H9NO4S/c1-6-10(12(14)15)18-11(13-6)7-2-3-8-9(4-7)17-5-16-8/h2-4H,5H2,1H3,(H,14,15)