ethyl 3-(phenylsulfinyl)-6-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-(phenylsulfinyl)-6-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-(benzenesulfinyl)-6-(3-pyridylmethoxy)benzothiophene-2-carboxylate CAS Name: 3-(benzenesulfinyl)-6-(3-pyridinylmethoxy)-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(benzenesulfinyl)-6-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylate Traditional Name: 3-(benzenesulfinyl)-6-(3-pyridylmethoxy)benzothiophene-2-carboxylic acid ethyl ester Formula: C23H19NO4S2 MolecularWeight: 437.53126

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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=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H19NO4S2/c1-2-27-23(25)21-22(30(26)18-8-4-3-5-9-18)19-11-10-17(13-20(19)29-21)28-15-16-7-6-12-24-14-16/h3-14H,2,15H2,1H3