(3-methoxyphenyl)sulfinyl 6-(pyridin-4-ylmethoxy)-1-benzothiophene-2-carboxylate

Systemtic Name: (3-methoxyphenyl)sulfinyl 6-(pyridin-4-ylmethoxy)-1-benzothiophene-2-carboxylate Openeye Name: (3-methoxyphenyl)sulfinyl 6-(4-pyridylmethoxy)benzothiophene-2-carboxylate CAS Name: 6-(pyridin-4-ylmethoxy)-1-benzothiophene-2-carboxylic acid (3-methoxyphenyl)sulfinyl ester IUPAC Name: (3-methoxyphenyl)sulfinyl 6-(pyridin-4-ylmethoxy)-1-benzothiophene-2-carboxylate Traditional Name: 6-(4-pyridylmethoxy)benzothiophene-2-carboxylic acid (3-methoxyphenyl)sulfinyl ester Formula: C22H17NO5S2 MolecularWeight: 439.50408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)S(=O)OC(=O)C2=CC3=C(S2)C=C(C=C3)OCC4=CC=NC=C4

Isomeric SMILES

COC1=CC(=CC=C1)S(=O)OC(=O)C2=CC3=C(S2)C=C(C=C3)OCC4=CC=NC=C4

InChI

InChI=1S/C22H17NO5S2/c1-26-17-3-2-4-19(12-17)30(25)28-22(24)21-11-16-5-6-18(13-20(16)29-21)27-14-15-7-9-23-10-8-15/h2-13H,14H2,1H3