2-(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,3-thiazole-5-carboxylic acid Openeye Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)thiazole-5-carboxylic acid CAS Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-5-thiazolecarboxylic acid IUPAC Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,3-thiazole-5-carboxylic acid Traditional Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)thiazole-5-carboxylic acid Formula: C13H10BrNO4S MolecularWeight: 356.1918

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C3=NC=C(S3)C(=O)O)Br)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C3=NC=C(S3)C(=O)O)Br)OC1

InChI

InChI=1S/C13H10BrNO4S/c14-8-4-7(12-15-6-10(20-12)13(16)17)5-9-11(8)19-3-1-2-18-9/h4-6H,1-3H2,(H,16,17)