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

Systemtic Name: methyl 3-methyl-5-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-methyl-5-[[4-(2-quinolylmethoxy)phenyl]methoxy]benzothiophene-2-carboxylate CAS Name: 3-methyl-5-[[4-(2-quinolinylmethoxy)phenyl]methoxy]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 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-carboxylic acid methyl ester Formula: C28H23NO4S MolecularWeight: 469.55152

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H23NO4S/c1-18-24-15-23(13-14-26(24)34-27(18)28(30)31-2)32-16-19-7-11-22(12-8-19)33-17-21-10-9-20-5-3-4-6-25(20)29-21/h3-15H,16-17H2,1-2H3