ethyl 3-(phenylsulfinyl)-6-(pyridazin-4-ylmethoxy)-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-(phenylsulfinyl)-6-(pyridazin-4-ylmethoxy)-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-(benzenesulfinyl)-6-(pyridazin-4-ylmethoxy)benzothiophene-2-carboxylate CAS Name: 3-(benzenesulfinyl)-6-(4-pyridazinylmethoxy)-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(benzenesulfinyl)-6-(pyridazin-4-ylmethoxy)-1-benzothiophene-2-carboxylate Traditional Name: 3-(benzenesulfinyl)-6-(pyridazin-4-ylmethoxy)benzothiophene-2-carboxylic acid ethyl ester Formula: C22H18N2O4S2 MolecularWeight: 438.51932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O4S2/c1-2-27-22(25)20-21(30(26)17-6-4-3-5-7-17)18-9-8-16(12-19(18)29-20)28-14-15-10-11-23-24-13-15/h3-13H,2,14H2,1H3