7-(2-imidazol-1-ylethanoylamino)-7-methoxy-3-methylidene-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid

Systemtic Name: 7-(2-imidazol-1-ylethanoylamino)-7-methoxy-3-methylidene-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Openeye Name: 7-[(2-imidazol-1-ylacetyl)amino]-7-methoxy-3-methylene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid CAS Name: 7-[[2-(1-imidazolyl)-1-oxoethyl]amino]-7-methoxy-3-methylene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid IUPAC Name: 7-[(2-imidazol-1-ylacetyl)amino]-7-methoxy-3-methylidene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Traditional Name: 7-[(2-imidazol-1-ylacetyl)amino]-8-keto-7-methoxy-3-methylene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Formula: C14H16N4O5S MolecularWeight: 352.36564

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(C(=C)CS2)C(=O)O)NC(=O)CN3C=CN=C3

Isomeric SMILES

COC1(C2N(C1=O)C(C(=C)CS2)C(=O)O)NC(=O)CN3C=CN=C3

InChI

InChI=1S/C14H16N4O5S/c1-8-6-24-13-14(23-2,12(22)18(13)10(8)11(20)21)16-9(19)5-17-4-3-15-7-17/h3-4,7,10,13H,1,5-6H2,2H3,(H,16,19)(H,20,21)