6-(2-hydroxyethyl)-3-methanoyl-3-methylsulfanyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 6-(2-hydroxyethyl)-3-methanoyl-3-methylsulfanyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 3-formyl-6-(2-hydroxyethyl)-3-methylsulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 3-formyl-6-(2-hydroxyethyl)-3-(methylthio)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 3-formyl-6-(2-hydroxyethyl)-3-methylsulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 3-formyl-6-(2-hydroxyethyl)-7-keto-3-(methylthio)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C10H13NO5S2 MolecularWeight: 291.34392

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Descriptors Computed from Structure

Canonical SMILES:

CSC1(C(N2C(S1)C(C2=O)CCO)C(=O)O)C=O

Isomeric SMILES

CSC1(C(N2C(S1)C(C2=O)CCO)C(=O)O)C=O

InChI

InChI=1S/C10H13NO5S2/c1-17-10(4-13)6(9(15)16)11-7(14)5(2-3-12)8(11)18-10/h4-6,8,12H,2-3H2,1H3,(H,15,16)