methyl 2-azanyl-5-oxidanylidene-10H-[1,3,4]thiadiazolo[2,3-b]quinazolin-4-ium-8-carboxylate

Systemtic Name: methyl 2-azanyl-5-oxidanylidene-10H-[1,3,4]thiadiazolo[2,3-b]quinazolin-4-ium-8-carboxylate Openeye Name: methyl 2-amino-5-oxo-10H-[1,3,4]thiadiazolo[2,3-b]quinazolin-4-ium-8-carboxylate CAS Name: 2-amino-5-oxo-10H-[1,3,4]thiadiazolo[2,3-b]quinazolin-4-ium-8-carboxylic acid methyl ester IUPAC Name: methyl 2-amino-5-oxo-10H-[1,3,4]thiadiazolo[2,3-b]quinazolin-4-ium-8-carboxylate Traditional Name: 2-amino-5-keto-10H-[1,3,4]thiadiazolo[2,3-b]quinazolin-4-ium-8-carboxylic acid methyl ester Formula: C11H9N4O3S+ MolecularWeight: 277.27916

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)[N+]3=C(N2)SC(=N3)N

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)[N+]3=C(N2)SC(=N3)N

InChI

InChI=1S/C11H8N4O3S/c1-18-9(17)5-2-3-6-7(4-5)13-11-15(8(6)16)14-10(12)19-11/h2-4H,1H3,(H2,12,14)/p+1