7-(2-chloranylethanoylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid

Systemtic Name: 7-(2-chloranylethanoylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid Openeye Name: 7-[(2-chloroacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid CAS Name: 7-[(2-chloro-1-oxoethyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid IUPAC Name: 7-[(2-chloroacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid Traditional Name: 7-[(2-chloroacetyl)amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid Formula: C10H9ClN2O6S MolecularWeight: 320.70626

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CCl)C(=O)O)C(=O)O

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CCl)C(=O)O)C(=O)O

InChI

InChI=1S/C10H9ClN2O6S/c11-1-4(14)12-5-7(15)13-6(10(18)19)3(9(16)17)2-20-8(5)13/h5,8H,1-2H2,(H,12,14)(H,16,17)(H,18,19)