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

Systemtic Name: phenyl 4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: phenyl 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 phenyl ester IUPAC Name: phenyl 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 phenyl ester Formula: C20H16N2O2S MolecularWeight: 348.41824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O2S/c1-13-12-14(2)21-19-16(13)17(22-10-6-7-11-22)18(25-19)20(23)24-15-8-4-3-5-9-15/h3-12H,1-2H3