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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Br)C3=NC=C(S3)C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Br)C3=NC=C(S3)C(=O)O

InChI

InChI=1S/C12H8BrNO4S/c13-7-3-6(4-8-10(7)18-2-1-17-8)11-14-5-9(19-11)12(15)16/h3-5H,1-2H2,(H,15,16)