3-(6,7-dimethylimidazo[5,1-b][1,3]thiazol-4-ium-2-yl)-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 3-(6,7-dimethylimidazo[5,1-b][1,3]thiazol-4-ium-2-yl)-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 3-(6,7-dimethylimidazo[5,1-b]thiazol-4-ium-2-yl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-(6,7-dimethyl-2-imidazo[5,1-b]thiazol-4-iumyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 3-(6,7-dimethylimidazo[5,1-b][1,3]thiazol-4-ium-2-yl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-(6,7-dimethylimidazo[5,1-b]thiazol-4-ium-2-yl)-6-(1-hydroxyethyl)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2[N+](=CN1C)C=C(S2)C3=C(N4C(C3)C(C4=O)C(C)O)C(=O)[O-]

Isomeric SMILES

CC1=C2[N+](=CN1C)C=C(S2)C3=C(N4C(C3)C(C4=O)C(C)O)C(=O)[O-]

InChI

InChI=1S/C16H17N3O4S/c1-7-15-18(6-17(7)3)5-11(24-15)9-4-10-12(8(2)20)14(21)19(10)13(9)16(22)23/h5-6,8,10,12,20H,4H2,1-3H3