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

Systemtic Name: 7-[2-(1-methylimidazol-2-yl)ethanethioylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-(1-methylimidazol-2-yl)ethanethioyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-(1-methyl-2-imidazolyl)-1-sulfanylideneethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-(1-methylimidazol-2-yl)ethanethioyl]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)thioacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C13H14N4O3S2 MolecularWeight: 338.40526

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CC(=S)NC2C3N(C2=O)C(=CCS3)C(=O)O

Isomeric SMILES

CN1C=CN=C1CC(=S)NC2C3N(C2=O)C(=CCS3)C(=O)O

InChI

InChI=1S/C13H14N4O3S2/c1-16-4-3-14-8(16)6-9(21)15-10-11(18)17-7(13(19)20)2-5-22-12(10)17/h2-4,10,12H,5-6H2,1H3,(H,15,21)(H,19,20)