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

Systemtic Name: ethyl 3,6-bis(azanyl)-5-cyano-4-methylsulfanyl-thieno[2,3-b]pyridin-7-ium-2-carboxylate Openeye Name: ethyl 3,6-diamino-5-cyano-4-methylsulfanyl-thieno[2,3-b]pyridin-7-ium-2-carboxylate CAS Name: 3,6-diamino-5-cyano-4-(methylthio)-2-thieno[2,3-b]pyridin-7-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3,6-diamino-5-cyano-4-methylsulfanylthieno[2,3-b]pyridin-7-ium-2-carboxylate Traditional Name: 3,6-diamino-5-cyano-4-(methylthio)thieno[2,3-b]pyridin-7-ium-2-carboxylic acid ethyl ester Formula: C12H13N4O2S2+ MolecularWeight: 309.38722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)[NH+]=C(C(=C2SC)C#N)N)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)[NH+]=C(C(=C2SC)C#N)N)N

InChI

InChI=1S/C12H12N4O2S2/c1-3-18-12(17)9-7(14)6-8(19-2)5(4-13)10(15)16-11(6)20-9/h3,14H2,1-2H3,(H2,15,16)/p+1