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

Systemtic Name: (phenylmethyl) 4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C21H18N2O2S MolecularWeight: 362.44482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)OCC3=CC=CC=C3)N4C=CC=C4)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)OCC3=CC=CC=C3)N4C=CC=C4)C

InChI

InChI=1S/C21H18N2O2S/c1-14-12-15(2)22-20-17(14)18(23-10-6-7-11-23)19(26-20)21(24)25-13-16-8-4-3-5-9-16/h3-12H,13H2,1-2H3