sodium (6E)-7-oxidanylidene-6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylidene)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: sodium (6E)-7-oxidanylidene-6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylidene)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium (6E)-7-oxo-6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylene)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium (6E)-7-oxo-6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylidene)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium (6E)-7-oxo-6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylidene)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium (6E)-7-keto-6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylene)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C14H12N3NaO3S MolecularWeight: 325.31815

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN2C(=CC(=N2)C=C3C4N(C3=O)C(=CS4)C(=O)[O-])C1.[Na+]

Isomeric SMILES

C1CCN2C(=CC(=N2)/C=C\3/C4N(C3=O)C(=CS4)C(=O)[O-])C1.[Na+]

InChI

InChI=1S/C14H13N3O3S.Na/c18-12-10(13-17(12)11(7-21-13)14(19)20)6-8-5-9-3-1-2-4-16(9)15-8;/h5-7,13H,1-4H2,(H,19,20);/q;+1/p-1/b10-6+;