O3-(2-bromoethyl) O2-tert-butyl 7-azanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylate

Systemtic Name: O3-(2-bromoethyl) O2-tert-butyl 7-azanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylate Openeye Name: O3-(2-bromoethyl) O2-tert-butyl 7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylate CAS Name: 7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid O3-(2-bromoethyl) ester O2-tert-butyl ester IUPAC Name: 3-O-(2-bromoethyl) 2-O-tert-butyl 7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylate Traditional Name: 7-amino-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid O3-(2-bromoethyl) ester O2-tert-butyl ester Formula: C14H19BrN2O5S MolecularWeight: 407.28006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(CSC2N1C(=O)C2N)C(=O)OCCBr

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(CSC2N1C(=O)C2N)C(=O)OCCBr

InChI

InChI=1S/C14H19BrN2O5S/c1-14(2,3)22-13(20)9-7(12(19)21-5-4-15)6-23-11-8(16)10(18)17(9)11/h8,11H,4-6,16H2,1-3H3