ethyl 5-azanyl-8-cyano-3-oxidanylidene-2-(pyridin-1-ium-3-ylmethylidene)-7-pyridin-3-yl-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate

Systemtic Name: ethyl 5-azanyl-8-cyano-3-oxidanylidene-2-(pyridin-1-ium-3-ylmethylidene)-7-pyridin-3-yl-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate Openeye Name: ethyl 5-amino-8-cyano-3-oxo-2-(pyridin-1-ium-3-ylmethylene)-7-(3-pyridyl)-7H-thiazolo[3,2-a]pyridine-6-carboxylate CAS Name: 5-amino-8-cyano-3-oxo-2-(3-pyridin-1-iumylmethylidene)-7-(3-pyridinyl)-7H-thiazolo[3,2-a]pyridine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-8-cyano-3-oxo-2-(pyridin-1-ium-3-ylmethylidene)-7-pyridin-3-yl-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate Traditional Name: 5-amino-8-cyano-3-keto-2-(pyridin-1-ium-3-ylmethylene)-7-(3-pyridyl)-7H-thiazolo[3,2-a]pyridine-6-carboxylic acid ethyl ester Formula: C22H18N5O3S+ MolecularWeight: 432.47502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N2C(=C(C1C3=CN=CC=C3)C#N)SC(=CC4=C[NH+]=CC=C4)C2=O)N

Isomeric SMILES

CCOC(=O)C1=C(N2C(=C(C1C3=CN=CC=C3)C#N)SC(=CC4=C[NH+]=CC=C4)C2=O)N

InChI

InChI=1S/C22H17N5O3S/c1-2-30-22(29)18-17(14-6-4-8-26-12-14)15(10-23)21-27(19(18)24)20(28)16(31-21)9-13-5-3-7-25-11-13/h3-9,11-12,17H,2,24H2,1H3/p+1