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

Systemtic Name: 1-cyanoethyl 4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: 1-cyanoethyl 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 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 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 1-cyanoethyl ester Formula: C17H15N3O2S MolecularWeight: 325.3849

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)OC(C)C#N)N3C=CC=C3)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)OC(C)C#N)N3C=CC=C3)C

InChI

InChI=1S/C17H15N3O2S/c1-10-8-11(2)19-16-13(10)14(20-6-4-5-7-20)15(23-16)17(21)22-12(3)9-18/h4-8,12H,1-3H3