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

Systemtic Name: methyl 6-bromanyl-3-(1-methyl-1,2,3-triazol-4-yl)-6-oxidanyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: methyl 6-bromo-6-hydroxy-3-(1-methyltriazol-4-yl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-bromo-6-hydroxy-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-bromo-6-hydroxy-3-(1-methyltriazol-4-yl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-bromo-6-hydroxy-7-keto-3-(1-methyltriazol-4-yl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid methyl ester Formula: C10H9BrN4O4S MolecularWeight: 361.17186

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=N1)C2=C(N3C(S2)C(C3=O)(O)Br)C(=O)OC

Isomeric SMILES

CN1C=C(N=N1)C2=C(N3C(S2)C(C3=O)(O)Br)C(=O)OC

InChI

InChI=1S/C10H9BrN4O4S/c1-14-3-4(12-13-14)6-5(7(16)19-2)15-8(17)10(11,18)9(15)20-6/h3,9,18H,1-2H3