3-[(Z)-2-acetamido-1-chloranyl-ethenyl]sulfanyl-6-(1-ethoxy-1-sulfooxy-ethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-[(Z)-2-acetamido-1-chloranyl-ethenyl]sulfanyl-6-(1-ethoxy-1-sulfooxy-ethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-[(Z)-2-acetamido-1-chloro-vinyl]sulfanyl-6-(1-ethoxy-1-sulfooxy-ethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-[[(Z)-2-acetamido-1-chloroethenyl]thio]-6-(1-ethoxy-1-sulfooxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-[(Z)-2-acetamido-1-chloroethenyl]sulfanyl-6-(1-ethoxy-1-sulfooxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[[(Z)-2-acetamido-1-chloro-vinyl]thio]-6-(1-ethoxy-1-sulfoxy-ethyl)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C15H19ClN2O9S2 MolecularWeight: 470.90236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)(C1C2CC(=C(N2C1=O)C(=O)O)SC(=CNC(=O)C)Cl)OS(=O)(=O)O

Isomeric SMILES

CCOC(C)(C1C2CC(=C(N2C1=O)C(=O)O)S/C(=C/NC(=O)C)/Cl)OS(=O)(=O)O

InChI

InChI=1S/C15H19ClN2O9S2/c1-4-26-15(3,27-29(23,24)25)11-8-5-9(28-10(16)6-17-7(2)19)12(14(21)22)18(8)13(11)20/h6,8,11H,4-5H2,1-3H3,(H,17,19)(H,21,22)(H,23,24,25)/b10-6+