ethyl 2-[(8-chloranyl-2-pyridin-2-yl-quinolin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(8-chloranyl-2-pyridin-2-yl-quinolin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[8-chloro-2-(2-pyridyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[8-chloro-2-(2-pyridinyl)-4-quinolinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(8-chloro-2-pyridin-2-ylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[8-chloro-2-(2-pyridyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H22ClN3O3S MolecularWeight: 491.98918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NC4=C3C=CC=C4Cl)C5=CC=CC=N5

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NC4=C3C=CC=C4Cl)C5=CC=CC=N5

InChI

InChI=1S/C26H22ClN3O3S/c1-2-33-26(32)22-16-8-3-4-12-21(16)34-25(22)30-24(31)17-14-20(19-11-5-6-13-28-19)29-23-15(17)9-7-10-18(23)27/h5-7,9-11,13-14H,2-4,8,12H2,1H3,(H,30,31)