(6E)-7-oxidanylidene-6-(1-oxidanylpropan-2-ylidene)-3-pyrimidin-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: (6E)-7-oxidanylidene-6-(1-oxidanylpropan-2-ylidene)-3-pyrimidin-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: (6E)-6-(2-hydroxy-1-methyl-ethylidene)-7-oxo-3-pyrimidin-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: (6E)-6-(1-hydroxypropan-2-ylidene)-7-oxo-3-(2-pyrimidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: (6E)-6-(1-hydroxypropan-2-ylidene)-7-oxo-3-pyrimidin-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: (6E)-6-(2-hydroxy-1-methyl-ethylidene)-7-keto-3-(2-pyrimidylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C2CC(=C(N2C1=O)C(=O)O)SC3=NC=CC=N3)CO

Isomeric SMILES

C/C(=C\1/C2CC(=C(N2C1=O)C(=O)O)SC3=NC=CC=N3)/CO

InChI

InChI=1S/C14H13N3O4S/c1-7(6-18)10-8-5-9(22-14-15-3-2-4-16-14)11(13(20)21)17(8)12(10)19/h2-4,8,18H,5-6H2,1H3,(H,20,21)/b10-7+