3-[(4-bromanylphenoxy)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[(4-bromanylphenoxy)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[(4-bromophenoxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[(4-bromophenoxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[(4-bromophenoxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[(4-bromophenoxy)methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C14H12BrNO4S MolecularWeight: 370.21838

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=C(CS2)COC3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1C2N(C1=O)C(=C(CS2)COC3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C14H12BrNO4S/c15-9-1-3-10(4-2-9)20-6-8-7-21-12-5-11(17)16(12)13(8)14(18)19/h1-4,12H,5-7H2,(H,18,19)