sodium (5R,6S)-6-(2-hydroxyethyl)-3-methanoyl-3-methylsulfanyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: sodium (5R,6S)-6-(2-hydroxyethyl)-3-methanoyl-3-methylsulfanyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium (5R,6S)-3-formyl-6-(2-hydroxyethyl)-3-methylsulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: sodium (5R,6S)-3-formyl-6-(2-hydroxyethyl)-3-(methylthio)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium (5R,6S)-3-formyl-6-(2-hydroxyethyl)-3-methylsulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium (5R,6S)-3-formyl-6-(2-hydroxyethyl)-7-keto-3-(methylthio)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C10H12NNaO5S2 MolecularWeight: 313.32575

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1(C(N2C(S1)C(C2=O)CCO)C(=O)[O-])C=O.[Na+]

Isomeric SMILES

CSC1(C(N2[C@H](S1)[C@H](C2=O)CCO)C(=O)[O-])C=O.[Na+]

InChI

InChI=1S/C10H13NO5S2.Na/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);/q;+1/p-1/t5-,6?,8+,10?;/m0./s1