7-oxidanylidene-6-(2-oxidanylpropan-2-yl)-3-[2-(1,2,3,4-tetrazol-1-yl)propyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 7-oxidanylidene-6-(2-oxidanylpropan-2-yl)-3-[2-(1,2,3,4-tetrazol-1-yl)propyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-hydroxy-1-methyl-ethyl)-7-oxo-3-[2-(tetrazol-1-yl)propyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(2-hydroxypropan-2-yl)-7-oxo-3-[2-(1-tetrazolyl)propyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(2-hydroxypropan-2-yl)-7-oxo-3-[2-(tetrazol-1-yl)propyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(1-hydroxy-1-methyl-ethyl)-7-keto-3-[2-(tetrazol-1-yl)propyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C13H17N5O4S MolecularWeight: 339.37018

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(N2C(S1)C(C2=O)C(C)(C)O)C(=O)O)N3C=NN=N3

Isomeric SMILES

CC(CC1=C(N2C(S1)C(C2=O)C(C)(C)O)C(=O)O)N3C=NN=N3

InChI

InChI=1S/C13H17N5O4S/c1-6(17-5-14-15-16-17)4-7-9(12(20)21)18-10(19)8(11(18)23-7)13(2,3)22/h5-6,8,11,22H,4H2,1-3H3,(H,20,21)