sodium (5R,6Z)-6-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-ylmethylidene)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: sodium (5R,6Z)-6-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-ylmethylidene)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium (5R,6Z)-6-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-ylmethylene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium (5R,6Z)-6-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-ylmethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium (5R,6Z)-6-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-ylmethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium (5R,6Z)-6-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-ylmethylene)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C13H10N3NaO3S MolecularWeight: 311.29157

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC(=NN2C1)C=C3C4N(C3=O)C(=CS4)C(=O)[O-].[Na+]

Isomeric SMILES

C1CC2=CC(=NN2C1)/C=C/3\[C@@H]4N(C3=O)C(=CS4)C(=O)[O-].[Na+]

InChI

InChI=1S/C13H11N3O3S.Na/c17-11-9(12-16(11)10(6-20-12)13(18)19)5-7-4-8-2-1-3-15(8)14-7;/h4-6,12H,1-3H2,(H,18,19);/q;+1/p-1/b9-5-;/t12-;/m1./s1