5-(2-bromanylprop-2-enoylamino)-1-benzothiophene-2-carboxylic acid

Systemtic Name: 5-(2-bromanylprop-2-enoylamino)-1-benzothiophene-2-carboxylic acid Openeye Name: 5-(2-bromoprop-2-enoylamino)benzothiophene-2-carboxylic acid CAS Name: 5-[(2-bromo-1-oxoprop-2-enyl)amino]-1-benzothiophene-2-carboxylic acid IUPAC Name: 5-(2-bromoprop-2-enoylamino)-1-benzothiophene-2-carboxylic acid Traditional Name: 5-[(2-bromoacryloyl)amino]benzothiophene-2-carboxylic acid Formula: C12H8BrNO3S MolecularWeight: 326.16582

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(=O)NC1=CC2=C(C=C1)SC(=C2)C(=O)O)Br

Isomeric SMILES

C=C(C(=O)NC1=CC2=C(C=C1)SC(=C2)C(=O)O)Br

InChI

InChI=1S/C12H8BrNO3S/c1-6(13)11(15)14-8-2-3-9-7(4-8)5-10(18-9)12(16)17/h2-5H,1H2,(H,14,15)(H,16,17)