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

Systemtic Name: 6-(1-hydroxyethyl)-3-[7-(hydroxymethyl)-6-methyl-imidazo[5,1-b][1,3]thiazol-4-ium-2-yl]-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 6-(1-hydroxyethyl)-3-[7-(hydroxymethyl)-6-methyl-imidazo[5,1-b]thiazol-4-ium-2-yl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-(1-hydroxyethyl)-3-[7-(hydroxymethyl)-6-methyl-2-imidazo[5,1-b]thiazol-4-iumyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 6-(1-hydroxyethyl)-3-[7-(hydroxymethyl)-6-methylimidazo[5,1-b][1,3]thiazol-4-ium-2-yl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-(1-hydroxyethyl)-7-keto-4-methyl-3-(6-methyl-7-methylol-imidazo[5,1-b]thiazol-4-ium-2-yl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1C3=C[N+]4=CN(C(=C4S3)CO)C)C(=O)[O-])C(C)O

Isomeric SMILES

CC1C2C(C(=O)N2C(=C1C3=C[N+]4=CN(C(=C4S3)CO)C)C(=O)[O-])C(C)O

InChI

InChI=1S/C17H19N3O5S/c1-7-11(10-4-19-6-18(3)9(5-21)16(19)26-10)14(17(24)25)20-13(7)12(8(2)22)15(20)23/h4,6-8,12-13,21-22H,5H2,1-3H3