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

Systemtic Name: 3-(1-azanylsulfanylpropan-2-ylsulfonylmethyl)-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-[(2-aminosulfanyl-1-methyl-ethyl)sulfonylmethyl]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-[1-(aminothio)propan-2-ylsulfonylmethyl]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(1-aminosulfanylpropan-2-ylsulfonylmethyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[[2-(aminothio)-1-methyl-ethyl]sulfonylmethyl]-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(CSN)S(=O)(=O)CC1=C(N2C(C1)C(C2=O)C(C)O)C(=O)O

Isomeric SMILES

CC(CSN)S(=O)(=O)CC1=C(N2C(C1)C(C2=O)C(C)O)C(=O)O

InChI

InChI=1S/C13H20N2O6S2/c1-6(4-22-14)23(20,21)5-8-3-9-10(7(2)16)12(17)15(9)11(8)13(18)19/h6-7,9-10,16H,3-5,14H2,1-2H3,(H,18,19)