3-[1-acetyloxy-2-(furan-3-yl)-2-sulfanylidene-ethyl]-7-azanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[1-acetyloxy-2-(furan-3-yl)-2-sulfanylidene-ethyl]-7-azanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[1-acetoxy-2-(3-furyl)-2-thioxo-ethyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[1-acetyloxy-2-(3-furanyl)-2-sulfanylideneethyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[1-acetyloxy-2-(furan-3-yl)-2-sulfanylideneethyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[1-acetoxy-2-(3-furyl)-2-thioxo-ethyl]-7-amino-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H14N2O6S2 MolecularWeight: 382.41146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=C(N2C(C(C2=O)N)SC1)C(=O)O)C(=S)C3=COC=C3

Isomeric SMILES

CC(=O)OC(C1=C(N2C(C(C2=O)N)SC1)C(=O)O)C(=S)C3=COC=C3

InChI

InChI=1S/C15H14N2O6S2/c1-6(18)23-11(12(24)7-2-3-22-4-7)8-5-25-14-9(16)13(19)17(14)10(8)15(20)21/h2-4,9,11,14H,5,16H2,1H3,(H,20,21)