7-oxidanylidene-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-4H-[1,3]thiazolo[4,5-b]pyridin-5-olate

Systemtic Name: 7-oxidanylidene-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-4H-[1,3]thiazolo[4,5-b]pyridin-5-olate Openeye Name: 7-oxo-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-4H-thiazolo[4,5-b]pyridin-5-olate CAS Name: 7-oxo-2-[2-(1-pyrrolidin-1-iumyl)ethylthio]-4H-thiazolo[4,5-b]pyridin-5-olate IUPAC Name: 7-oxo-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-4H-[1,3]thiazolo[4,5-b]pyridin-5-olate Traditional Name: 7-keto-2-(2-pyrrolidin-1-ium-1-ylethylthio)-4H-thiazolo[4,5-b]pyridin-5-olate Formula: C12H15N3O2S2 MolecularWeight: 297.3964

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCSC2=NC3=C(S2)C(=O)C=C(N3)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCSC2=NC3=C(S2)C(=O)C=C(N3)[O-]

InChI

InChI=1S/C12H15N3O2S2/c16-8-7-9(17)13-11-10(8)19-12(14-11)18-6-5-15-3-1-2-4-15/h7H,1-6H2,(H2,13,16,17)