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

Systemtic Name: ethyl 2-[(8-chloranyl-2-pyridin-4-yl-quinolin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[8-chloro-2-(4-pyridyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(8-chloro-2-pyridin-4-yl-4-quinolinyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(8-chloro-2-pyridin-4-ylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[8-chloro-2-(4-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=NC=C5

Isomeric SMILES

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

InChI

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