ethyl 3,6-bis(azanyl)-5-cyano-4-ethyl-thieno[2,3-b]pyridin-7-ium-2-carboxylate

Systemtic Name: ethyl 3,6-bis(azanyl)-5-cyano-4-ethyl-thieno[2,3-b]pyridin-7-ium-2-carboxylate Openeye Name: ethyl 3,6-diamino-5-cyano-4-ethyl-thieno[2,3-b]pyridin-7-ium-2-carboxylate CAS Name: 3,6-diamino-5-cyano-4-ethyl-2-thieno[2,3-b]pyridin-7-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3,6-diamino-5-cyano-4-ethylthieno[2,3-b]pyridin-7-ium-2-carboxylate Traditional Name: 3,6-diamino-5-cyano-4-ethyl-thieno[2,3-b]pyridin-7-ium-2-carboxylic acid ethyl ester Formula: C13H15N4O2S+ MolecularWeight: 291.3488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=[NH+]C2=C1C(=C(S2)C(=O)OCC)N)N)C#N

Isomeric SMILES

CCC1=C(C(=[NH+]C2=C1C(=C(S2)C(=O)OCC)N)N)C#N

InChI

InChI=1S/C13H14N4O2S/c1-3-6-7(5-14)11(16)17-12-8(6)9(15)10(20-12)13(18)19-4-2/h3-4,15H2,1-2H3,(H2,16,17)/p+1