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

Systemtic Name: 3-(3-azanylsulfanylpropylsulfonylmethyl)-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(3-aminosulfanylpropylsulfonylmethyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-[3-(aminothio)propylsulfonylmethyl]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(3-aminosulfanylpropylsulfonylmethyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[3-(aminothio)propylsulfonylmethyl]-6-(1-hydroxyethyl)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C13H20N2O6S2 MolecularWeight: 364.4377

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O6S2/c1-7(16)10-9-5-8(6-23(20,21)4-2-3-22-14)11(13(18)19)15(9)12(10)17/h7,9-10,16H,2-6,14H2,1H3,(H,18,19)