butyl 2-[[2-(furan-2-yl)quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: butyl 2-[[2-(furan-2-yl)quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[[2-(2-furyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-(2-furanyl)-4-quinolinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(2-furyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid butyl ester Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CO5

Isomeric SMILES

CCCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CO5

InChI

InChI=1S/C27H26N2O4S/c1-2-3-14-33-27(31)24-18-10-5-7-13-23(18)34-26(24)29-25(30)19-16-21(22-12-8-15-32-22)28-20-11-6-4-9-17(19)20/h4,6,8-9,11-12,15-16H,2-3,5,7,10,13-14H2,1H3,(H,29,30)