4-[3-(5-phenylimidazo[1,2-a]quinolin-8-yl)sulfanylphenyl]oxane-4-carboxylic acid

Systemtic Name: 4-[3-(5-phenylimidazo[1,2-a]quinolin-8-yl)sulfanylphenyl]oxane-4-carboxylic acid Openeye Name: 4-[3-(5-phenylimidazo[1,2-a]quinolin-8-yl)sulfanylphenyl]tetrahydropyran-4-carboxylic acid CAS Name: 4-[3-[(5-phenyl-8-imidazo[1,2-a]quinolinyl)thio]phenyl]-4-oxanecarboxylic acid IUPAC Name: 4-[3-(5-phenylimidazo[1,2-a]quinolin-8-yl)sulfanylphenyl]oxane-4-carboxylic acid Traditional Name: 4-[3-[(5-phenylimidazo[1,2-a]quinolin-8-yl)thio]phenyl]tetrahydropyran-4-carboxylic acid Formula: C29H24N2O3S MolecularWeight: 480.57746

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(C2=CC(=CC=C2)SC3=CC4=C(C=C3)C(=CC5=NC=CN45)C6=CC=CC=C6)C(=O)O

Isomeric SMILES

C1COCCC1(C2=CC(=CC=C2)SC3=CC4=C(C=C3)C(=CC5=NC=CN45)C6=CC=CC=C6)C(=O)O

InChI

InChI=1S/C29H24N2O3S/c32-28(33)29(11-15-34-16-12-29)21-7-4-8-22(17-21)35-23-9-10-24-25(20-5-2-1-3-6-20)19-27-30-13-14-31(27)26(24)18-23/h1-10,13-14,17-19H,11-12,15-16H2,(H,32,33)