3-pyrrol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide

Systemtic Name: 3-pyrrol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide Openeye Name: 3-pyrrol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide CAS Name: 3-(1-pyrrolyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: 3-pyrrol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide Traditional Name: 3-pyrrol-1-yl-N-(3,4,5-trimethoxybenzyl)thieno[2,3-b]pyridine-2-carboxamide Formula: C22H21N3O4S MolecularWeight: 423.48484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)C2=C(C3=C(S2)N=CC=C3)N4C=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)C2=C(C3=C(S2)N=CC=C3)N4C=CC=C4

InChI

InChI=1S/C22H21N3O4S/c1-27-16-11-14(12-17(28-2)19(16)29-3)13-24-21(26)20-18(25-9-4-5-10-25)15-7-6-8-23-22(15)30-20/h4-12H,13H2,1-3H3,(H,24,26)