[2-(hydroxymethyl)phenyl]sulfanyl 6-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(hydroxymethyl)phenyl]sulfanyl 6-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylate Openeye Name: [2-(hydroxymethyl)phenyl]sulfanyl 6-(3-pyridylmethoxy)benzothiophene-2-carboxylate CAS Name: 6-(3-pyridinylmethoxy)-1-benzothiophene-2-carboxylic acid [[2-(hydroxymethyl)phenyl]thio] ester IUPAC Name: [2-(hydroxymethyl)phenyl]sulfanyl 6-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylate Traditional Name: 6-(3-pyridylmethoxy)benzothiophene-2-carboxylic acid [(2-methylolphenyl)thio] ester Formula: C22H17NO4S2 MolecularWeight: 423.50468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CO)SOC(=O)C2=CC3=C(S2)C=C(C=C3)OCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C(=C1)CO)SOC(=O)C2=CC3=C(S2)C=C(C=C3)OCC4=CN=CC=C4

InChI

InChI=1S/C22H17NO4S2/c24-13-17-5-1-2-6-19(17)29-27-22(25)21-10-16-7-8-18(11-20(16)28-21)26-14-15-4-3-9-23-12-15/h1-12,24H,13-14H2