ethyl 2-azanyl-6-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-pyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 2-azanyl-6-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-pyridin-1-ium-3-carboxylate Openeye Name: ethyl 2-amino-6-[2-(tert-butylamino)-2-oxo-ethyl]sulfanyl-5-cyano-pyridin-1-ium-3-carboxylate CAS Name: 2-amino-6-[[2-(tert-butylamino)-2-oxoethyl]thio]-5-cyano-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-6-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-5-cyanopyridin-1-ium-3-carboxylate Traditional Name: 2-amino-6-[[2-(tert-butylamino)-2-keto-ethyl]thio]-5-cyano-pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C15H21N4O3S+ MolecularWeight: 337.41724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([NH+]=C(C(=C1)C#N)SCC(=O)NC(C)(C)C)N

Isomeric SMILES

CCOC(=O)C1=C([NH+]=C(C(=C1)C#N)SCC(=O)NC(C)(C)C)N

InChI

InChI=1S/C15H20N4O3S/c1-5-22-14(21)10-6-9(7-16)13(18-12(10)17)23-8-11(20)19-15(2,3)4/h6H,5,8H2,1-4H3,(H2,17,18)(H,19,20)/p+1