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

Systemtic Name: ethyl 2-[(7-chloranyl-8-methyl-2-pyridin-3-yl-quinolin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[7-chloro-8-methyl-2-(3-pyridyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[7-chloro-8-methyl-2-(3-pyridinyl)-4-quinolinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(7-chloro-8-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[7-chloro-8-methyl-2-(3-pyridyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C27H24ClN3O3S MolecularWeight: 506.01576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NC4=C3C=CC(=C4C)Cl)C5=CN=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NC4=C3C=CC(=C4C)Cl)C5=CN=CC=C5

InChI

InChI=1S/C27H24ClN3O3S/c1-3-34-27(33)23-18-8-4-5-9-22(18)35-26(23)31-25(32)19-13-21(16-7-6-12-29-14-16)30-24-15(2)20(28)11-10-17(19)24/h6-7,10-14H,3-5,8-9H2,1-2H3,(H,31,32)