methyl 3-(phenylsulfinyl)-5-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-(phenylsulfinyl)-5-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-(benzenesulfinyl)-5-(3-pyridylmethoxy)benzothiophene-2-carboxylate CAS Name: 3-(benzenesulfinyl)-5-(3-pyridinylmethoxy)-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(benzenesulfinyl)-5-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylate Traditional Name: 3-(benzenesulfinyl)-5-(3-pyridylmethoxy)benzothiophene-2-carboxylic acid methyl ester Formula: C22H17NO4S2 MolecularWeight: 423.50468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17NO4S2/c1-26-22(24)20-21(29(25)17-7-3-2-4-8-17)18-12-16(9-10-19(18)28-20)27-14-15-6-5-11-23-13-15/h2-13H,14H2,1H3