2,4-dihydro-1H-pyrido[3,4-b]pyrazin-6-ium-3-one; 7-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 2,4-dihydro-1H-pyrido[3,4-b]pyrazin-6-ium-3-one; 7-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 2,4-dihydro-1H-pyrido[3,4-b]pyrazin-6-ium-3-one; 7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 2,4-dihydro-1H-pyrido[3,4-b]pyrazin-6-ium-3-one; 7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 2,4-dihydro-1H-pyrido[3,4-b]pyrazin-6-ium-3-one; 7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 2,4-dihydro-1H-pyrido[3,4-b]pyrazin-6-ium-3-one; 8-keto-7-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C15H16N4O4S MolecularWeight: 348.37694

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2N(C1=O)C(=CCS2)C(=O)[O-].C1C(=O)NC2=C(N1)C=C[NH+]=C2

Isomeric SMILES

CC1C2N(C1=O)C(=CCS2)C(=O)[O-].C1C(=O)NC2=C(N1)C=C[NH+]=C2

InChI

InChI=1S/C8H9NO3S.C7H7N3O/c1-4-6(10)9-5(8(11)12)2-3-13-7(4)9;11-7-4-9-5-1-2-8-3-6(5)10-7/h2,4,7H,3H2,1H3,(H,11,12);1-3,9H,4H2,(H,10,11)