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

Systemtic Name: 7-oxidanylidene-6-propan-2-yl-3-pyrimidin-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-isopropyl-7-oxo-3-pyrimidin-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 7-oxo-6-propan-2-yl-3-(2-pyrimidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 7-oxo-6-propan-2-yl-3-pyrimidin-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-isopropyl-7-keto-3-(2-pyrimidylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O3S/c1-7(2)10-8-6-9(21-14-15-4-3-5-16-14)11(13(19)20)17(8)12(10)18/h3-5,7-8,10H,6H2,1-2H3,(H,19,20)