7-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C13H14N4O4S2 MolecularWeight: 354.40466

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2C3N(C2=O)C(=CCS3)C(=O)O

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2C3N(C2=O)C(=CCS3)C(=O)O

InChI

InChI=1S/C13H14N4O4S2/c1-16-4-3-14-13(16)23-6-8(18)15-9-10(19)17-7(12(20)21)2-5-22-11(9)17/h2-4,9,11H,5-6H2,1H3,(H,15,18)(H,20,21)