ethyl 2-[(6-bromanyl-2-pyridin-4-yl-quinolin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(6-bromanyl-2-pyridin-4-yl-quinolin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[6-bromo-2-(4-pyridyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(6-bromo-2-pyridin-4-yl-4-quinolinyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(6-bromo-2-pyridin-4-ylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[6-bromo-2-(4-pyridyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H22BrN3O3S MolecularWeight: 536.44018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=NC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=NC=C5

InChI

InChI=1S/C26H22BrN3O3S/c1-2-33-26(32)23-17-5-3-4-6-22(17)34-25(23)30-24(31)19-14-21(15-9-11-28-12-10-15)29-20-8-7-16(27)13-18(19)20/h7-14H,2-6H2,1H3,(H,30,31)