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

Systemtic Name: 2-(7-bromanyl-1,3-benzodioxol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-(7-bromo-1,3-benzodioxol-5-yl)-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-(7-bromo-1,3-benzodioxol-5-yl)-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-(7-bromo-1,3-benzodioxol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-(7-bromo-1,3-benzodioxol-5-yl)-4-methyl-thiazole-5-carboxylic acid Formula: C12H8BrNO4S MolecularWeight: 342.16522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8BrNO4S/c1-5-10(12(15)16)19-11(14-5)6-2-7(13)9-8(3-6)17-4-18-9/h2-3H,4H2,1H3,(H,15,16)