methyl 6-acetyloxy-6-bromanyl-3-(1-methyl-1,2,3-triazol-4-yl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: methyl 6-acetyloxy-6-bromanyl-3-(1-methyl-1,2,3-triazol-4-yl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: methyl 6-acetoxy-6-bromo-3-(1-methyltriazol-4-yl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-acetyloxy-6-bromo-3-(1-methyl-4-triazolyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-acetyloxy-6-bromo-3-(1-methyltriazol-4-yl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-acetoxy-6-bromo-7-keto-3-(1-methyltriazol-4-yl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid methyl ester Formula: C12H11BrN4O5S MolecularWeight: 403.20854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(C2N(C1=O)C(=C(S2)C3=CN(N=N3)C)C(=O)OC)Br

Isomeric SMILES

CC(=O)OC1(C2N(C1=O)C(=C(S2)C3=CN(N=N3)C)C(=O)OC)Br

InChI

InChI=1S/C12H11BrN4O5S/c1-5(18)22-12(13)10(20)17-7(9(19)21-3)8(23-11(12)17)6-4-16(2)15-14-6/h4,11H,1-3H3