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

Systemtic Name: ethyl 3,6-bis(azanyl)-5-cyano-4-(4-methoxyphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate Openeye Name: ethyl 3,6-diamino-5-cyano-4-(4-methoxyphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate CAS Name: 3,6-diamino-5-cyano-4-(4-methoxyphenyl)-2-thieno[2,3-b]pyridin-7-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3,6-diamino-5-cyano-4-(4-methoxyphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate Traditional Name: 3,6-diamino-5-cyano-4-(4-methoxyphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxylic acid ethyl ester Formula: C18H17N4O3S+ MolecularWeight: 369.41758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O3S/c1-3-25-18(23)15-14(20)13-12(9-4-6-10(24-2)7-5-9)11(8-19)16(21)22-17(13)26-15/h4-7H,3,20H2,1-2H3,(H2,21,22)/p+1