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

Systemtic Name: ethyl 3,6-bis(azanyl)-5-cyano-4-phenyl-thieno[2,3-b]pyridin-7-ium-2-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H15N4O2S+ MolecularWeight: 339.3916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O2S/c1-2-23-17(22)14-13(19)12-11(9-6-4-3-5-7-9)10(8-18)15(20)21-16(12)24-14/h3-7H,2,19H2,1H3,(H2,20,21)/p+1