6-ethyl-3-(1H-imidazol-5-ylsulfanyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-ethyl-3-(1H-imidazol-5-ylsulfanyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-ethyl-3-(1H-imidazol-5-ylsulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-ethyl-3-(1H-imidazol-5-ylthio)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-ethyl-3-(1H-imidazol-5-ylsulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-ethyl-3-(1H-imidazol-5-ylthio)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2CC(=C(N2C1=O)C(=O)O)SC3=CN=CN3

Isomeric SMILES

CCC1C2CC(=C(N2C1=O)C(=O)O)SC3=CN=CN3

InChI

InChI=1S/C12H13N3O3S/c1-2-6-7-3-8(19-9-4-13-5-14-9)10(12(17)18)15(7)11(6)16/h4-7H,2-3H2,1H3,(H,13,14)(H,17,18)