1-methyl-8-[4-(quinolin-2-ylmethoxy)phenoxy]-4,5-dihydrothieno[3,4-g]indazole-6-carboxylic acid

Systemtic Name: 1-methyl-8-[4-(quinolin-2-ylmethoxy)phenoxy]-4,5-dihydrothieno[3,4-g]indazole-6-carboxylic acid Openeye Name: 1-methyl-8-[4-(2-quinolylmethoxy)phenoxy]-4,5-dihydrothieno[3,4-g]indazole-6-carboxylic acid CAS Name: 1-methyl-8-[4-(2-quinolinylmethoxy)phenoxy]-4,5-dihydrothieno[3,4-g]indazole-6-carboxylic acid IUPAC Name: 1-methyl-8-[4-(quinolin-2-ylmethoxy)phenoxy]-4,5-dihydrothieno[3,4-g]indazole-6-carboxylic acid Traditional Name: 1-methyl-8-[4-(2-quinolylmethoxy)phenoxy]-4,5-dihydrothien[3,4-g]indazole-6-carboxylic acid Formula: C27H21N3O4S MolecularWeight: 483.53834

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CCC3=C(SC(=C32)OC4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5)C(=O)O)C=N1

Isomeric SMILES

CN1C2=C(CCC3=C(SC(=C32)OC4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5)C(=O)O)C=N1

InChI

InChI=1S/C27H21N3O4S/c1-30-24-17(14-28-30)7-13-21-23(24)27(35-25(21)26(31)32)34-20-11-9-19(10-12-20)33-15-18-8-6-16-4-2-3-5-22(16)29-18/h2-6,8-12,14H,7,13,15H2,1H3,(H,31,32)