(phenylmethyl) 7-azanyl-3-bromanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (phenylmethyl) 7-azanyl-3-bromanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzyl 7-amino-3-bromo-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-3-bromo-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-amino-3-bromo-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-3-bromo-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzyl ester Formula: C14H13BrN2O3S MolecularWeight: 369.23362

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)N)C(=O)OCC3=CC=CC=C3)Br

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)OCC3=CC=CC=C3)Br

InChI

InChI=1S/C14H13BrN2O3S/c15-9-7-21-13-10(16)12(18)17(13)11(9)14(19)20-6-8-4-2-1-3-5-8/h1-5,10,13H,6-7,16H2