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

Systemtic Name: (phenylmethyl) 3,6-bis(azanyl)-5-cyano-4-ethyl-thieno[2,3-b]pyridin-7-ium-2-carboxylate Openeye Name: benzyl 3,6-diamino-5-cyano-4-ethyl-thieno[2,3-b]pyridin-7-ium-2-carboxylate CAS Name: 3,6-diamino-5-cyano-4-ethyl-2-thieno[2,3-b]pyridin-7-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3,6-diamino-5-cyano-4-ethylthieno[2,3-b]pyridin-7-ium-2-carboxylate Traditional Name: 3,6-diamino-5-cyano-4-ethyl-thieno[2,3-b]pyridin-7-ium-2-carboxylic acid benzyl ester Formula: C18H17N4O2S+ MolecularWeight: 353.41818

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=[NH+]C2=C1C(=C(S2)C(=O)OCC3=CC=CC=C3)N)N)C#N

Isomeric SMILES

CCC1=C(C(=[NH+]C2=C1C(=C(S2)C(=O)OCC3=CC=CC=C3)N)N)C#N

InChI

InChI=1S/C18H16N4O2S/c1-2-11-12(8-19)16(21)22-17-13(11)14(20)15(25-17)18(23)24-9-10-6-4-3-5-7-10/h3-7H,2,9,20H2,1H3,(H2,21,22)/p+1