3-[2,3-bis(oxidanyl)propylsulfanyl]-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-[2,3-bis(oxidanyl)propylsulfanyl]-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(2,3-dihydroxypropylsulfanyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-(2,3-dihydroxypropylthio)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(2,3-dihydroxypropylsulfanyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-(glycerylthio)-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C11H15NO6S2 MolecularWeight: 321.3699

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)SCC(CO)O)C(=O)O)O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)SCC(CO)O)C(=O)O)O

InChI

InChI=1S/C11H15NO6S2/c1-4(14)6-8(16)12-7(10(17)18)11(20-9(6)12)19-3-5(15)2-13/h4-6,9,13-15H,2-3H2,1H3,(H,17,18)