ethyl 2-[(6-bromanyl-2-pyridin-4-yl-quinolin-4-yl)carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(6-bromanyl-2-pyridin-4-yl-quinolin-4-yl)carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[6-bromo-2-(4-pyridyl)quinoline-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[(6-bromo-2-pyridin-4-yl-4-quinolinyl)-oxomethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(6-bromo-2-pyridin-4-ylquinoline-4-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[6-bromo-2-(4-pyridyl)quinoline-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C25H20BrN3O3S MolecularWeight: 522.4136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=NC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=NC=C5

InChI

InChI=1S/C25H20BrN3O3S/c1-2-32-25(31)22-16-4-3-5-21(16)33-24(22)29-23(30)18-13-20(14-8-10-27-11-9-14)28-19-7-6-15(26)12-17(18)19/h6-13H,2-5H2,1H3,(H,29,30)