(4-chlorophenyl) 4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: (4-chlorophenyl) 4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: (4-chlorophenyl) 4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 4,6-dimethyl-3-(1-pyrrolyl)-2-thieno[2,3-b]pyridinecarboxylic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylate Traditional Name: 4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylic acid (4-chlorophenyl) ester Formula: C20H15ClN2O2S MolecularWeight: 382.8633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)OC3=CC=C(C=C3)Cl)N4C=CC=C4)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)OC3=CC=C(C=C3)Cl)N4C=CC=C4)C

InChI

InChI=1S/C20H15ClN2O2S/c1-12-11-13(2)22-19-16(12)17(23-9-3-4-10-23)18(26-19)20(24)25-15-7-5-14(21)6-8-15/h3-11H,1-2H3