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

Systemtic Name: ethyl 3-(phenylsulfonyl)-6-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-(benzenesulfonyl)-6-(3-pyridylmethoxy)benzothiophene-2-carboxylate CAS Name: 3-(benzenesulfonyl)-6-(3-pyridinylmethoxy)-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(benzenesulfonyl)-6-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylate Traditional Name: 3-besyl-6-(3-pyridylmethoxy)benzothiophene-2-carboxylic acid ethyl ester Formula: C23H19NO5S2 MolecularWeight: 453.53066

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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)(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H19NO5S2/c1-2-28-23(25)21-22(31(26,27)18-8-4-3-5-9-18)19-11-10-17(13-20(19)30-21)29-15-16-7-6-12-24-14-16/h3-14H,2,15H2,1H3