3-(1-azidopropan-2-ylsulfinylmethyl)-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-(1-azidopropan-2-ylsulfinylmethyl)-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-[(2-azido-1-methyl-ethyl)sulfinylmethyl]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-(1-azidopropan-2-ylsulfinylmethyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(1-azidopropan-2-ylsulfinylmethyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[(2-azido-1-methyl-ethyl)sulfinylmethyl]-6-(1-hydroxyethyl)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C13H18N4O5S MolecularWeight: 342.37082

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN=[N+]=[N-])S(=O)CC1=C(N2C(C1)C(C2=O)C(C)O)C(=O)O

Isomeric SMILES

CC(CN=[N+]=[N-])S(=O)CC1=C(N2C(C1)C(C2=O)C(C)O)C(=O)O

InChI

InChI=1S/C13H18N4O5S/c1-6(4-15-16-14)23(22)5-8-3-9-10(7(2)18)12(19)17(9)11(8)13(20)21/h6-7,9-10,18H,3-5H2,1-2H3,(H,20,21)