5-(2-bromanylprop-2-enoylamino)-1,3-benzothiazole-2-carboxylic acid

Systemtic Name: 5-(2-bromanylprop-2-enoylamino)-1,3-benzothiazole-2-carboxylic acid Openeye Name: 5-(2-bromoprop-2-enoylamino)-1,3-benzothiazole-2-carboxylic acid CAS Name: 5-[(2-bromo-1-oxoprop-2-enyl)amino]-1,3-benzothiazole-2-carboxylic acid IUPAC Name: 5-(2-bromoprop-2-enoylamino)-1,3-benzothiazole-2-carboxylic acid Traditional Name: 5-[(2-bromoacryloyl)amino]-1,3-benzothiazole-2-carboxylic acid Formula: C11H7BrN2O3S MolecularWeight: 327.15388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(C(=O)NC1=CC2=C(C=C1)SC(=N2)C(=O)O)Br

Isomeric SMILES

C=C(C(=O)NC1=CC2=C(C=C1)SC(=N2)C(=O)O)Br

InChI

InChI=1S/C11H7BrN2O3S/c1-5(12)9(15)13-6-2-3-8-7(4-6)14-10(18-8)11(16)17/h2-4H,1H2,(H,13,15)(H,16,17)