methyl 3-[(6-bromanyl-2-pyridin-2-yl-quinolin-4-yl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[(6-bromanyl-2-pyridin-2-yl-quinolin-4-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[6-bromo-2-(2-pyridyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[6-bromo-2-(2-pyridinyl)-4-quinolinyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(6-bromo-2-pyridin-2-ylquinoline-4-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 3-[[6-bromo-2-(2-pyridyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C21H14BrN3O3S MolecularWeight: 468.32316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=N4

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=N4

InChI

InChI=1S/C21H14BrN3O3S/c1-28-21(27)19-17(7-9-29-19)25-20(26)14-11-18(16-4-2-3-8-23-16)24-15-6-5-12(22)10-13(14)15/h2-11H,1H3,(H,25,26)