4-(6-bromanylpyridin-2-yl)-2-[3-(3-fluorophenyl)propanoylamino]thiophene-3-carboxylic acid

Systemtic Name: 4-(6-bromanylpyridin-2-yl)-2-[3-(3-fluorophenyl)propanoylamino]thiophene-3-carboxylic acid Openeye Name: 4-(6-bromo-2-pyridyl)-2-[3-(3-fluorophenyl)propanoylamino]thiophene-3-carboxylic acid CAS Name: 4-(6-bromo-2-pyridinyl)-2-[[3-(3-fluorophenyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 4-(6-bromopyridin-2-yl)-2-[3-(3-fluorophenyl)propanoylamino]thiophene-3-carboxylic acid Traditional Name: 4-(6-bromo-2-pyridyl)-2-[3-(3-fluorophenyl)propanoylamino]-3-thenoic acid Formula: C19H14BrFN2O3S MolecularWeight: 449.293463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)CCC(=O)NC2=C(C(=CS2)C3=NC(=CC=C3)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)F)CCC(=O)NC2=C(C(=CS2)C3=NC(=CC=C3)Br)C(=O)O

InChI

InChI=1S/C19H14BrFN2O3S/c20-15-6-2-5-14(22-15)13-10-27-18(17(13)19(25)26)23-16(24)8-7-11-3-1-4-12(21)9-11/h1-6,9-10H,7-8H2,(H,23,24)(H,25,26)