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

Systemtic Name: ethyl 3,6-bis(azanyl)-5-cyano-4-(4-propan-2-ylphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate Openeye Name: ethyl 3,6-diamino-5-cyano-4-(4-isopropylphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate CAS Name: 3,6-diamino-5-cyano-4-(4-propan-2-ylphenyl)-2-thieno[2,3-b]pyridin-7-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3,6-diamino-5-cyano-4-(4-propan-2-ylphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate Traditional Name: 3,6-diamino-5-cyano-4-p-cumenyl-thieno[2,3-b]pyridin-7-ium-2-carboxylic acid ethyl ester Formula: C20H21N4O2S+ MolecularWeight: 381.47134

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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)C(C)C)C#N)N)N

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O2S/c1-4-26-20(25)17-16(22)15-14(12-7-5-11(6-8-12)10(2)3)13(9-21)18(23)24-19(15)27-17/h5-8,10H,4,22H2,1-3H3,(H2,23,24)/p+1