[(3Z)-3-(diazoniomethylidene)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]octan-2-ylidene]methanediolate

Systemtic Name: [(3Z)-3-(diazoniomethylidene)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]octan-2-ylidene]methanediolate Openeye Name: [(3Z)-3-(diazoniomethylene)-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]octan-2-ylidene]methanediolate CAS Name: [(3Z)-3-(diazoniomethylidene)-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]octan-2-ylidene]methanediolate IUPAC Name: [(3Z)-3-(diazoniomethylidene)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octan-2-ylidene]methanediolate Traditional Name: [(3Z)-3-(diazoniomethylene)-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]octan-2-ylidene]methanediolate Formula: C14H11N4O4S2- MolecularWeight: 363.39154

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C[N+]#N)C(=C([O-])[O-])N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3

Isomeric SMILES

C1/C(=C\[N+]#N)/C(=C([O-])[O-])N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3

InChI

InChI=1S/C14H12N4O4S2/c15-16-5-7-6-24-13-10(12(20)18(13)11(7)14(21)22)17-9(19)4-8-2-1-3-23-8/h1-3,5,10,13H,4,6H2,(H2-,17,19,21,22)/p-1/b7-5+