5-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-3-methyl-thiophene-2-carboxylic acid

Systemtic Name: 5-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-3-methyl-thiophene-2-carboxylic acid Openeye Name: 5-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-methyl-thiophene-2-carboxylic acid CAS Name: 5-[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid IUPAC Name: 5-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid Traditional Name: 5-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-methyl-2-thenoic acid Formula: C11H9BrN2O3S MolecularWeight: 329.16976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C2=CC(=CN2)Br)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C2=CC(=CN2)Br)C(=O)O

InChI

InChI=1S/C11H9BrN2O3S/c1-5-2-8(18-9(5)11(16)17)14-10(15)7-3-6(12)4-13-7/h2-4,13H,1H3,(H,14,15)(H,16,17)