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

Systemtic Name: propyl 2-[(6-bromanyl-2-pyridin-3-yl-quinolin-4-yl)carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: propyl 2-[[6-bromo-2-(3-pyridyl)quinoline-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[6-bromo-2-(3-pyridinyl)-4-quinolinyl]-oxomethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 2-[(6-bromo-2-pyridin-3-ylquinoline-4-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[6-bromo-2-(3-pyridyl)quinoline-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid propyl ester Formula: C26H22BrN3O3S MolecularWeight: 536.44018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22BrN3O3S/c1-2-11-33-26(32)23-17-6-3-7-22(17)34-25(23)30-24(31)19-13-21(15-5-4-10-28-14-15)29-20-9-8-16(27)12-18(19)20/h4-5,8-10,12-14H,2-3,6-7,11H2,1H3,(H,30,31)