8-[3-(4-oxidanyloxan-4-yl)phenyl]sulfanyl-5-propan-2-yl-imidazo[1,2-a]quinoline-2-carboxylic acid

Systemtic Name: 8-[3-(4-oxidanyloxan-4-yl)phenyl]sulfanyl-5-propan-2-yl-imidazo[1,2-a]quinoline-2-carboxylic acid Openeye Name: 8-[3-(4-hydroxytetrahydropyran-4-yl)phenyl]sulfanyl-5-isopropyl-imidazo[1,2-a]quinoline-2-carboxylic acid CAS Name: 8-[[3-(4-hydroxy-4-oxanyl)phenyl]thio]-5-propan-2-yl-2-imidazo[1,2-a]quinolinecarboxylic acid IUPAC Name: 8-[3-(4-hydroxyoxan-4-yl)phenyl]sulfanyl-5-propan-2-ylimidazo[1,2-a]quinoline-2-carboxylic acid Traditional Name: 8-[[3-(4-hydroxytetrahydropyran-4-yl)phenyl]thio]-5-isopropyl-imidazo[1,2-a]quinoline-2-carboxylic acid Formula: C26H26N2O4S MolecularWeight: 462.56064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=NC(=CN2C3=C1C=CC(=C3)SC4=CC=CC(=C4)C5(CCOCC5)O)C(=O)O

Isomeric SMILES

CC(C)C1=CC2=NC(=CN2C3=C1C=CC(=C3)SC4=CC=CC(=C4)C5(CCOCC5)O)C(=O)O

InChI

InChI=1S/C26H26N2O4S/c1-16(2)21-14-24-27-22(25(29)30)15-28(24)23-13-19(6-7-20(21)23)33-18-5-3-4-17(12-18)26(31)8-10-32-11-9-26/h3-7,12-16,31H,8-11H2,1-2H3,(H,29,30)