ethyl 3-[2-(acetyloxymethyl)phenyl]sulfinyl-6-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[2-(acetyloxymethyl)phenyl]sulfinyl-6-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[2-(acetoxymethyl)phenyl]sulfinyl-6-(3-pyridylmethoxy)benzothiophene-2-carboxylate CAS Name: 3-[2-(acetyloxymethyl)phenyl]sulfinyl-6-(3-pyridinylmethoxy)-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(acetyloxymethyl)phenyl]sulfinyl-6-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylate Traditional Name: 3-[2-(acetoxymethyl)phenyl]sulfinyl-6-(3-pyridylmethoxy)benzothiophene-2-carboxylic acid ethyl ester Formula: C26H23NO6S2 MolecularWeight: 509.59392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2)OCC3=CN=CC=C3)S(=O)C4=CC=CC=C4COC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2)OCC3=CN=CC=C3)S(=O)C4=CC=CC=C4COC(=O)C

InChI

InChI=1S/C26H23NO6S2/c1-3-31-26(29)24-25(35(30)23-9-5-4-8-19(23)16-32-17(2)28)21-11-10-20(13-22(21)34-24)33-15-18-7-6-12-27-14-18/h4-14H,3,15-16H2,1-2H3