6-[5-methylsulfanyl-1-(phenylsulfonyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-carboxylic acid

Systemtic Name: 6-[5-methylsulfanyl-1-(phenylsulfonyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-carboxylic acid Openeye Name: 6-[1-(benzenesulfonyl)-5-methylsulfanyl-pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-carboxylic acid CAS Name: 6-[1-(benzenesulfonyl)-5-(methylthio)-2-pyrrolo[2,3-b]pyridinyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[1-(benzenesulfonyl)-5-methylsulfanylpyrrolo[2,3-b]pyridin-2-yl]pyridine-3-carboxylic acid Traditional Name: 6-[1-besyl-5-(methylthio)pyrrolo[2,3-b]pyridin-2-yl]nicotinic acid Formula: C20H15N3O4S2 MolecularWeight: 425.4808

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CN=C2C(=C1)C=C(N2S(=O)(=O)C3=CC=CC=C3)C4=NC=C(C=C4)C(=O)O

Isomeric SMILES

CSC1=CN=C2C(=C1)C=C(N2S(=O)(=O)C3=CC=CC=C3)C4=NC=C(C=C4)C(=O)O

InChI

InChI=1S/C20H15N3O4S2/c1-28-15-9-14-10-18(17-8-7-13(11-21-17)20(24)25)23(19(14)22-12-15)29(26,27)16-5-3-2-4-6-16/h2-12H,1H3,(H,24,25)