3-[2-(5-azanyl-1,2,3,4-tetrazol-1-yl)propyl]-6-(hydroxymethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-[2-(5-azanyl-1,2,3,4-tetrazol-1-yl)propyl]-6-(hydroxymethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-[2-(5-aminotetrazol-1-yl)propyl]-6-(hydroxymethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-[2-(5-amino-1-tetrazolyl)propyl]-6-(hydroxymethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-[2-(5-aminotetrazol-1-yl)propyl]-6-(hydroxymethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[2-(5-aminotetrazol-1-yl)propyl]-7-keto-6-methylol-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C11H14N6O4S MolecularWeight: 326.33166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N6O4S/c1-4(17-11(12)13-14-15-17)2-6-7(10(20)21)16-8(19)5(3-18)9(16)22-6/h4-5,9,18H,2-3H2,1H3,(H,20,21)(H2,12,13,15)