3-[[1-(3-azanyl-3-oxidanylidene-propyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 3-[[1-(3-azanyl-3-oxidanylidene-propyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 3-[[1-(3-amino-3-oxo-propyl)tetrazol-5-yl]sulfanylmethyl]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-[[[1-(3-amino-3-oxopropyl)-5-tetrazolyl]thio]methyl]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 3-[[1-(3-amino-3-oxopropyl)tetrazol-5-yl]sulfanylmethyl]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-[[[1-(3-amino-3-keto-propyl)tetrazol-5-yl]thio]methyl]-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C13H15N6O5S2- MolecularWeight: 399.4254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)CSC3=NN=NN3CCC(=O)N)C(=O)[O-])O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)CSC3=NN=NN3CCC(=O)N)C(=O)[O-])O

InChI

InChI=1S/C13H16N6O5S2/c1-5(20)8-10(22)19-9(12(23)24)6(26-11(8)19)4-25-13-15-16-17-18(13)3-2-7(14)21/h5,8,11,20H,2-4H2,1H3,(H2,14,21)(H,23,24)/p-1