aminocarbonylazanium; 8-oxidanylidene-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: aminocarbonylazanium; 8-oxidanylidene-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: carbamoylammonium; 8-oxo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: carbamoylammonium; 8-oxo-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: carbamoylazanium; 8-oxo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: carbamoylammonium; 8-keto-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C11H13N5O4S3 MolecularWeight: 375.44702

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=C(CS2)CSC3=NN=CS3)C(=O)[O-].C(=O)([NH3+])N

Isomeric SMILES

C1C2N(C1=O)C(=C(CS2)CSC3=NN=CS3)C(=O)[O-].C(=O)([NH3+])N

InChI

InChI=1S/C10H9N3O3S3.CH4N2O/c14-6-1-7-13(6)8(9(15)16)5(2-17-7)3-18-10-12-11-4-19-10;2-1(3)4/h4,7H,1-3H2,(H,15,16);(H4,2,3,4)