3-(2-bromoethyl)-7-(1-hydroxyethyl)-8-oxidanylidene-4,5-dithia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(2-bromoethyl)-7-(1-hydroxyethyl)-8-oxidanylidene-4,5-dithia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(2-bromoethyl)-7-(1-hydroxyethyl)-8-oxo-4,5-dithia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(2-bromoethyl)-7-(1-hydroxyethyl)-8-oxo-4,5-dithia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(2-bromoethyl)-7-(1-hydroxyethyl)-8-oxo-4,5-dithia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(2-bromoethyl)-7-(1-hydroxyethyl)-8-keto-4,5-dithia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C10H12BrNO4S2 MolecularWeight: 354.24058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(SS2)CCBr)C(=O)O)O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(SS2)CCBr)C(=O)O)O

InChI

InChI=1S/C10H12BrNO4S2/c1-4(13)6-8(14)12-7(10(15)16)5(2-3-11)17-18-9(6)12/h4,6,9,13H,2-3H2,1H3,(H,15,16)