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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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