3-phenylsulfanyl-6-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-phenylsulfanyl-6-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylic acid Openeye Name: 3-phenylsulfanyl-6-(3-pyridylmethoxy)benzothiophene-2-carboxylic acid CAS Name: 3-(phenylthio)-6-(3-pyridinylmethoxy)-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-phenylsulfanyl-6-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylic acid Traditional Name: 3-(phenylthio)-6-(3-pyridylmethoxy)benzothiophene-2-carboxylic acid Formula: C21H15NO3S2 MolecularWeight: 393.4787

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(SC3=C2C=CC(=C3)OCC4=CN=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(SC3=C2C=CC(=C3)OCC4=CN=CC=C4)C(=O)O

InChI

InChI=1S/C21H15NO3S2/c23-21(24)20-19(26-16-6-2-1-3-7-16)17-9-8-15(11-18(17)27-20)25-13-14-5-4-10-22-12-14/h1-12H,13H2,(H,23,24)