5-methylsulfanyl-1-(phenylsulfonyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 5-methylsulfanyl-1-(phenylsulfonyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid Openeye Name: 1-(benzenesulfonyl)-5-methylsulfanyl-pyrrolo[2,3-b]pyridine-2-carboxylic acid CAS Name: 1-(benzenesulfonyl)-5-(methylthio)-2-pyrrolo[2,3-b]pyridinecarboxylic acid IUPAC Name: 1-(benzenesulfonyl)-5-methylsulfanylpyrrolo[2,3-b]pyridine-2-carboxylic acid Traditional Name: 1-besyl-5-(methylthio)pyrrolo[2,3-b]pyridine-2-carboxylic acid Formula: C15H12N2O4S2 MolecularWeight: 348.39678

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CN=C2C(=C1)C=C(N2S(=O)(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CSC1=CN=C2C(=C1)C=C(N2S(=O)(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C15H12N2O4S2/c1-22-11-7-10-8-13(15(18)19)17(14(10)16-9-11)23(20,21)12-5-3-2-4-6-12/h2-9H,1H3,(H,18,19)