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

Systemtic Name: 2-methoxyethyl 2-[(8-chloranyl-2-pyridin-3-yl-quinolin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-methoxyethyl 2-[[8-chloro-2-(3-pyridyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[8-chloro-2-(3-pyridinyl)-4-quinolinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[(8-chloro-2-pyridin-3-ylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[8-chloro-2-(3-pyridyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid 2-methoxyethyl ester Formula: C27H24ClN3O4S MolecularWeight: 522.01516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24ClN3O4S/c1-34-12-13-35-27(33)23-18-7-2-3-10-22(18)36-26(23)31-25(32)19-14-21(16-6-5-11-29-15-16)30-24-17(19)8-4-9-20(24)28/h4-6,8-9,11,14-15H,2-3,7,10,12-13H2,1H3,(H,31,32)