7-oxidanylidene-6-(2-oxidanylpropan-2-yl)-3-pyridin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 7-oxidanylidene-6-(2-oxidanylpropan-2-yl)-3-pyridin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-hydroxy-1-methyl-ethyl)-7-oxo-3-(3-pyridylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(2-hydroxypropan-2-yl)-7-oxo-3-(3-pyridinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(2-hydroxypropan-2-yl)-7-oxo-3-pyridin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(1-hydroxy-1-methyl-ethyl)-7-keto-3-(3-pyridylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O4S/c1-15(2,21)11-9-6-10(22-8-4-3-5-16-7-8)12(14(19)20)17(9)13(11)18/h3-5,7,9,11,21H,6H2,1-2H3,(H,19,20)