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

Systemtic Name: 3-(2-diazanyl-1-methylsulfinyl-2-oxidanylidene-ethyl)-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(2-hydrazino-1-methylsulfinyl-2-oxo-ethyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-(2-hydrazinyl-1-methylsulfinyl-2-oxoethyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(2-hydrazinyl-1-methylsulfinyl-2-oxoethyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-(2-hydrazino-2-keto-1-methylsulfinyl-ethyl)-6-(1-hydroxyethyl)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C12H17N3O6S MolecularWeight: 331.34488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC(=C(N2C1=O)C(=O)O)C(C(=O)NN)S(=O)C)O

Isomeric SMILES

CC(C1C2CC(=C(N2C1=O)C(=O)O)C(C(=O)NN)S(=O)C)O

InChI

InChI=1S/C12H17N3O6S/c1-4(16)7-6-3-5(9(22(2)21)10(17)14-13)8(12(19)20)15(6)11(7)18/h4,6-7,9,16H,3,13H2,1-2H3,(H,14,17)(H,19,20)