ethyl 3-(furan-3-yl)-1-(phenylsulfonyl)pyrrolo[2,3-b]pyridine-5-carboxylate

Systemtic Name: ethyl 3-(furan-3-yl)-1-(phenylsulfonyl)pyrrolo[2,3-b]pyridine-5-carboxylate Openeye Name: ethyl 1-(benzenesulfonyl)-3-(3-furyl)pyrrolo[2,3-b]pyridine-5-carboxylate CAS Name: 1-(benzenesulfonyl)-3-(3-furanyl)-5-pyrrolo[2,3-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carboxylate Traditional Name: 1-besyl-3-(3-furyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid ethyl ester Formula: C20H16N2O5S MolecularWeight: 396.41644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1)C(=CN2S(=O)(=O)C3=CC=CC=C3)C4=COC=C4

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1)C(=CN2S(=O)(=O)C3=CC=CC=C3)C4=COC=C4

InChI

InChI=1S/C20H16N2O5S/c1-2-27-20(23)15-10-17-18(14-8-9-26-13-14)12-22(19(17)21-11-15)28(24,25)16-6-4-3-5-7-16/h3-13H,2H2,1H3