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

Systemtic Name: (phenylmethyl) 3,6-bis(azanyl)-5-cyano-4-thiophen-2-yl-thieno[2,3-b]pyridin-7-ium-2-carboxylate Openeye Name: benzyl 3,6-diamino-5-cyano-4-(2-thienyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate CAS Name: 3,6-diamino-5-cyano-4-thiophen-2-yl-2-thieno[2,3-b]pyridin-7-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3,6-diamino-5-cyano-4-thiophen-2-ylthieno[2,3-b]pyridin-7-ium-2-carboxylate Traditional Name: 3,6-diamino-5-cyano-4-(2-thienyl)thieno[2,3-b]pyridin-7-ium-2-carboxylic acid benzyl ester Formula: C20H15N4O2S2+ MolecularWeight: 407.4887

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=C(C3=C(S2)[NH+]=C(C(=C3C4=CC=CS4)C#N)N)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=C(C3=C(S2)[NH+]=C(C(=C3C4=CC=CS4)C#N)N)N

InChI

InChI=1S/C20H14N4O2S2/c21-9-12-14(13-7-4-8-27-13)15-16(22)17(28-19(15)24-18(12)23)20(25)26-10-11-5-2-1-3-6-11/h1-8H,10,22H2,(H2,23,24)/p+1