7-azanyl-8-oxidanylidene-3-(pyridin-3-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-8-oxidanylidene-3-(pyridin-3-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-8-oxo-3-(3-pyridylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-8-oxo-3-(3-pyridinylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-8-oxo-3-(pyridin-3-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-8-keto-3-(3-pyridylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)CC3=CN=CC=C3

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)CC3=CN=CC=C3

InChI

InChI=1S/C13H13N3O3S/c14-9-11(17)16-10(13(18)19)8(6-20-12(9)16)4-7-2-1-3-15-5-7/h1-3,5,9,12H,4,6,14H2,(H,18,19)