(6R,7R)-7-azaniumyl-3-(2-methoxy-2-oxidanylidene-ethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (6R,7R)-7-azaniumyl-3-(2-methoxy-2-oxidanylidene-ethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (6R,7R)-7-azaniumyl-3-(2-methoxy-2-oxo-ethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-7-ammonio-3-(2-methoxy-2-oxoethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: (6R,7R)-7-azaniumyl-3-(2-methoxy-2-oxoethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-7-ammonio-8-keto-3-(2-keto-2-methoxy-ethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C10H12N2O5S MolecularWeight: 272.27768

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(N2C(C(C2=O)[NH3+])SC1)C(=O)[O-]

Isomeric SMILES

COC(=O)CC1=C(N2[C@@H]([C@@H](C2=O)[NH3+])SC1)C(=O)[O-]

InChI

InChI=1S/C10H12N2O5S/c1-17-5(13)2-4-3-18-9-6(11)8(14)12(9)7(4)10(15)16/h6,9H,2-3,11H2,1H3,(H,15,16)/t6-,9-/m1/s1