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

Systemtic Name: 3-(2-azanylsulfanylethylsulfonylmethyl)-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(2-aminosulfanylethylsulfonylmethyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-[2-(aminothio)ethylsulfonylmethyl]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(2-aminosulfanylethylsulfonylmethyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[2-(aminothio)ethylsulfonylmethyl]-6-(1-hydroxyethyl)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C12H18N2O6S2 MolecularWeight: 350.41112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC(=C(N2C1=O)C(=O)O)CS(=O)(=O)CCSN)O

Isomeric SMILES

CC(C1C2CC(=C(N2C1=O)C(=O)O)CS(=O)(=O)CCSN)O

InChI

InChI=1S/C12H18N2O6S2/c1-6(15)9-8-4-7(5-22(19,20)3-2-21-13)10(12(17)18)14(8)11(9)16/h6,8-9,15H,2-5,13H2,1H3,(H,17,18)