7-azanyl-8-oxidanylidene-3-[2,2,2-tris(chloranyl)ethanoylcarbamoyloxymethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-8-oxidanylidene-3-[2,2,2-tris(chloranyl)ethanoylcarbamoyloxymethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-8-oxo-3-[(2,2,2-trichloroacetyl)carbamoyloxymethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-8-oxo-3-[[oxo-[(2,2,2-trichloro-1-oxoethyl)amino]methoxy]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-8-oxo-3-[(2,2,2-trichloroacetyl)carbamoyloxymethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-8-keto-3-[(2,2,2-trichloroacetyl)carbamoyloxymethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C11H10Cl3N3O6S MolecularWeight: 418.6376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)COC(=O)NC(=O)C(Cl)(Cl)Cl

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)COC(=O)NC(=O)C(Cl)(Cl)Cl

InChI

InChI=1S/C11H10Cl3N3O6S/c12-11(13,14)9(21)16-10(22)23-1-3-2-24-7-4(15)6(18)17(7)5(3)8(19)20/h4,7H,1-2,15H2,(H,19,20)(H,16,21,22)