3-[bromanyl(chloranyl)methyl]-7-(cyclohexylideneamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[bromanyl(chloranyl)methyl]-7-(cyclohexylideneamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[bromo(chloro)methyl]-7-(cyclohexylideneamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[bromo(chloro)methyl]-7-(cyclohexylideneamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[bromo(chloro)methyl]-7-(cyclohexylideneamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[bromo(chloro)methyl]-7-(cyclohexylideneamino)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C14H16BrClN2O3S MolecularWeight: 407.71044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NC2C3N(C2=O)C(=C(CS3)C(Cl)Br)C(=O)O)CC1

Isomeric SMILES

C1CCC(=NC2C3N(C2=O)C(=C(CS3)C(Cl)Br)C(=O)O)CC1

InChI

InChI=1S/C14H16BrClN2O3S/c15-11(16)8-6-22-13-9(17-7-4-2-1-3-5-7)12(19)18(13)10(8)14(20)21/h9,11,13H,1-6H2,(H,20,21)