ethyl 6-[(6-methoxypyridin-3-yl)methoxy]-3-(phenylsulfinyl)-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 6-[(6-methoxypyridin-3-yl)methoxy]-3-(phenylsulfinyl)-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-(benzenesulfinyl)-6-[(6-methoxy-3-pyridyl)methoxy]benzothiophene-2-carboxylate CAS Name: 3-(benzenesulfinyl)-6-[(6-methoxy-3-pyridinyl)methoxy]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(benzenesulfinyl)-6-[(6-methoxypyridin-3-yl)methoxy]-1-benzothiophene-2-carboxylate Traditional Name: 3-(benzenesulfinyl)-6-[(6-methoxy-3-pyridyl)methoxy]benzothiophene-2-carboxylic acid ethyl ester Formula: C24H21NO5S2 MolecularWeight: 467.55724

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=C(C=C3)OC)S(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H21NO5S2/c1-3-29-24(26)22-23(32(27)18-7-5-4-6-8-18)19-11-10-17(13-20(19)31-22)30-15-16-9-12-21(28-2)25-14-16/h4-14H,3,15H2,1-2H3