3-methyl-5-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-1-benzothiophene-2-carboxylate

Systemtic Name: 3-methyl-5-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-1-benzothiophene-2-carboxylate Openeye Name: 3-methyl-5-[[4-(2-quinolylmethoxy)phenyl]methoxy]benzothiophene-2-carboxylate CAS Name: 3-methyl-5-[[4-(2-quinolinylmethoxy)phenyl]methoxy]-1-benzothiophene-2-carboxylate IUPAC Name: 3-methyl-5-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-1-benzothiophene-2-carboxylate Traditional Name: 3-methyl-5-[4-(2-quinolylmethoxy)benzyl]oxy-benzothiophene-2-carboxylate Formula: C27H20NO4S- MolecularWeight: 454.517

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)OCC3=CC=C(C=C3)OCC4=NC5=CC=CC=C5C=C4)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)OCC3=CC=C(C=C3)OCC4=NC5=CC=CC=C5C=C4)C(=O)[O-]

InChI

InChI=1S/C27H21NO4S/c1-17-23-14-22(12-13-25(23)33-26(17)27(29)30)31-15-18-6-10-21(11-7-18)32-16-20-9-8-19-4-2-3-5-24(19)28-20/h2-14H,15-16H2,1H3,(H,29,30)/p-1