6-(hydroxymethyl)-7-oxidanylidene-3-(2-pyrazol-1-ylpropyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-(hydroxymethyl)-7-oxidanylidene-3-(2-pyrazol-1-ylpropyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(hydroxymethyl)-7-oxo-3-(2-pyrazol-1-ylpropyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(hydroxymethyl)-7-oxo-3-[2-(1-pyrazolyl)propyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(hydroxymethyl)-7-oxo-3-(2-pyrazol-1-ylpropyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 7-keto-6-methylol-3-(2-pyrazol-1-ylpropyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C13H15N3O4S MolecularWeight: 309.3409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O4S/c1-7(15-4-2-3-14-15)5-9-10(13(19)20)16-11(18)8(6-17)12(16)21-9/h2-4,7-8,12,17H,5-6H2,1H3,(H,19,20)