2-(5-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-(5-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methyl-thiazole-5-carboxylic acid Formula: C13H10BrNO4S MolecularWeight: 356.1918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC3=C(C(=C2)Br)OCCO3)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)C2=CC3=C(C(=C2)Br)OCCO3)C(=O)O

InChI

InChI=1S/C13H10BrNO4S/c1-6-11(13(16)17)20-12(15-6)7-4-8(14)10-9(5-7)18-2-3-19-10/h4-5H,2-3H2,1H3,(H,16,17)