7-oxidanylidene-6-propan-2-yl-3-pyrimidin-5-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 7-oxidanylidene-6-propan-2-yl-3-pyrimidin-5-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-isopropyl-7-oxo-3-pyrimidin-5-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 7-oxo-6-propan-2-yl-3-(5-pyrimidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 7-oxo-6-propan-2-yl-3-pyrimidin-5-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-isopropyl-7-keto-3-(5-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=CN=CN=C3

Isomeric SMILES

CC(C)C1C2CC(=C(N2C1=O)C(=O)O)SC3=CN=CN=C3

InChI

InChI=1S/C14H15N3O3S/c1-7(2)11-9-3-10(21-8-4-15-6-16-5-8)12(14(19)20)17(9)13(11)18/h4-7,9,11H,3H2,1-2H3,(H,19,20)