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

Systemtic Name: ethyl 2-[(6-methyl-2-pyridin-2-yl-quinolin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[6-methyl-2-(2-pyridyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[6-methyl-2-(2-pyridinyl)-4-quinolinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(6-methyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[6-methyl-2-(2-pyridyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C27H25N3O3S MolecularWeight: 471.5707

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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)C)C5=CC=CC=N5

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)C)C5=CC=CC=N5

InChI

InChI=1S/C27H25N3O3S/c1-3-33-27(32)24-17-8-4-5-10-23(17)34-26(24)30-25(31)19-15-22(21-9-6-7-13-28-21)29-20-12-11-16(2)14-18(19)20/h6-7,9,11-15H,3-5,8,10H2,1-2H3,(H,30,31)