6-ethyl-7-oxidanylidene-3-pyrimidin-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-ethyl-7-oxidanylidene-3-pyrimidin-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-ethyl-7-oxo-3-pyrimidin-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-ethyl-7-oxo-3-(2-pyrimidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-ethyl-7-oxo-3-pyrimidin-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-ethyl-7-keto-3-(2-pyrimidylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2CC(=C(N2C1=O)C(=O)O)SC3=NC=CC=N3

Isomeric SMILES

CCC1C2CC(=C(N2C1=O)C(=O)O)SC3=NC=CC=N3

InChI

InChI=1S/C13H13N3O3S/c1-2-7-8-6-9(20-13-14-4-3-5-15-13)10(12(18)19)16(8)11(7)17/h3-5,7-8H,2,6H2,1H3,(H,18,19)