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

Systemtic Name: methyl 3,6-bis(azanyl)-5-cyano-4-phenyl-thieno[2,3-b]pyridin-7-ium-2-carboxylate Openeye Name: methyl 3,6-diamino-5-cyano-4-phenyl-thieno[2,3-b]pyridin-7-ium-2-carboxylate CAS Name: 3,6-diamino-5-cyano-4-phenyl-2-thieno[2,3-b]pyridin-7-iumcarboxylic acid methyl ester IUPAC Name: methyl 3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridin-7-ium-2-carboxylate Traditional Name: 3,6-diamino-5-cyano-4-phenyl-thieno[2,3-b]pyridin-7-ium-2-carboxylic acid methyl ester Formula: C16H13N4O2S+ MolecularWeight: 325.36502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)[NH+]=C(C(=C2C3=CC=CC=C3)C#N)N)N

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)[NH+]=C(C(=C2C3=CC=CC=C3)C#N)N)N

InChI

InChI=1S/C16H12N4O2S/c1-22-16(21)13-12(18)11-10(8-5-3-2-4-6-8)9(7-17)14(19)20-15(11)23-13/h2-6H,18H2,1H3,(H2,19,20)/p+1