diethyl 2-oxidanyl-2-[3-oxidanylidene-1-(phenylsulfonyl)-2H-pyrrolo[2,3-b]pyridin-2-yl]propanedioate

Systemtic Name: diethyl 2-oxidanyl-2-[3-oxidanylidene-1-(phenylsulfonyl)-2H-pyrrolo[2,3-b]pyridin-2-yl]propanedioate Openeye Name: diethyl 2-[1-(benzenesulfonyl)-3-oxo-2H-pyrrolo[2,3-b]pyridin-2-yl]-2-hydroxy-propanedioate CAS Name: 2-[1-(benzenesulfonyl)-3-oxo-2H-pyrrolo[2,3-b]pyridin-2-yl]-2-hydroxypropanedioic acid diethyl ester IUPAC Name: diethyl 2-[1-(benzenesulfonyl)-3-oxo-2H-pyrrolo[2,3-b]pyridin-2-yl]-2-hydroxypropanedioate Traditional Name: 2-(1-besyl-3-keto-2H-pyrrolo[2,3-b]pyridin-2-yl)-2-hydroxy-malonic acid diethyl ester Formula: C20H20N2O8S MolecularWeight: 448.4464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1C(=O)C2=C(N1S(=O)(=O)C3=CC=CC=C3)N=CC=C2)(C(=O)OCC)O

Isomeric SMILES

CCOC(=O)C(C1C(=O)C2=C(N1S(=O)(=O)C3=CC=CC=C3)N=CC=C2)(C(=O)OCC)O

InChI

InChI=1S/C20H20N2O8S/c1-3-29-18(24)20(26,19(25)30-4-2)16-15(23)14-11-8-12-21-17(14)22(16)31(27,28)13-9-6-5-7-10-13/h5-12,16,26H,3-4H2,1-2H3