ethyl 3-(2-oxidanyl-3-phenoxy-propoxy)-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-(2-oxidanyl-3-phenoxy-propoxy)-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-(2-hydroxy-3-phenoxy-propoxy)benzothiophene-2-carboxylate CAS Name: 3-(2-hydroxy-3-phenoxypropoxy)-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-hydroxy-3-phenoxypropoxy)-1-benzothiophene-2-carboxylate Traditional Name: 3-(2-hydroxy-3-phenoxy-propoxy)benzothiophene-2-carboxylic acid ethyl ester Formula: C20H20O5S MolecularWeight: 372.4348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2S1)OCC(COC3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2S1)OCC(COC3=CC=CC=C3)O

InChI

InChI=1S/C20H20O5S/c1-2-23-20(22)19-18(16-10-6-7-11-17(16)26-19)25-13-14(21)12-24-15-8-4-3-5-9-15/h3-11,14,21H,2,12-13H2,1H3