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

Systemtic Name: 3-(3-azanylsulfanylpropylsulfinylmethyl)-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(3-aminosulfanylpropylsulfinylmethyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-[3-(aminothio)propylsulfinylmethyl]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(3-aminosulfanylpropylsulfinylmethyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[3-(aminothio)propylsulfinylmethyl]-6-(1-hydroxyethyl)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C13H20N2O5S2 MolecularWeight: 348.4383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O5S2/c1-7(16)10-9-5-8(6-22(20)4-2-3-21-14)11(13(18)19)15(9)12(10)17/h7,9-10,16H,2-6,14H2,1H3,(H,18,19)