3-(bromomethyl)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid

Systemtic Name: 3-(bromomethyl)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Openeye Name: 3-(bromomethyl)-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid CAS Name: 3-(bromomethyl)-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid IUPAC Name: 3-(bromomethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Traditional Name: 3-(bromomethyl)-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Formula: C14H13BrN2O4S2 MolecularWeight: 417.29802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CC(=O)NC2C3N(C2=O)C(C(=CS3)CBr)C(=O)O

Isomeric SMILES

C1=CSC(=C1)CC(=O)NC2C3N(C2=O)C(C(=CS3)CBr)C(=O)O

InChI

InChI=1S/C14H13BrN2O4S2/c15-5-7-6-23-13-10(12(19)17(13)11(7)14(20)21)16-9(18)4-8-2-1-3-22-8/h1-3,6,10-11,13H,4-5H2,(H,16,18)(H,20,21)