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

Systemtic Name: 7-azanyl-3-[2-(bromomethyl)phenyl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-[2-(bromomethyl)phenyl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-3-[[2-(bromomethyl)phenyl]thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-[2-(bromomethyl)phenyl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-3-[[2-(bromomethyl)phenyl]thio]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C14H13BrN2O3S2 MolecularWeight: 401.29862

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)SC3=CC=CC=C3CBr

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)SC3=CC=CC=C3CBr

InChI

InChI=1S/C14H13BrN2O3S2/c15-5-7-3-1-2-4-8(7)22-9-6-21-13-10(16)12(18)17(13)11(9)14(19)20/h1-4,10,13H,5-6,16H2,(H,19,20)