(2-azanyl-6-oxidanylidene-1H-pyrimidin-4-yl)sulfanyl 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (2-azanyl-6-oxidanylidene-1H-pyrimidin-4-yl)sulfanyl 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (2-amino-6-oxo-1H-pyrimidin-4-yl)sulfanyl 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [(2-amino-6-oxo-1H-pyrimidin-4-yl)thio] ester IUPAC Name: (2-amino-6-oxo-1H-pyrimidin-4-yl)sulfanyl 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [(2-amino-6-keto-1H-pyrimidin-4-yl)thio] ester Formula: C11H10N4O4S2 MolecularWeight: 326.3515

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)CC2=O)C(=O)OSC3=CC(=O)NC(=N3)N

Isomeric SMILES

C1C=C(N2C(S1)CC2=O)C(=O)OSC3=CC(=O)NC(=N3)N

InChI

InChI=1S/C11H10N4O4S2/c12-11-13-6(16)3-7(14-11)21-19-10(18)5-1-2-20-9-4-8(17)15(5)9/h1,3,9H,2,4H2,(H3,12,13,14,16)