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

Systemtic Name: 6-(3-azanylpropyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(3-aminopropyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(3-aminopropyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(3-aminopropyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(3-aminopropyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C9H12N2O3S MolecularWeight: 228.26818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(N2C(S1)C(C2=O)CCCN)C(=O)O

Isomeric SMILES

C1=C(N2C(S1)C(C2=O)CCCN)C(=O)O

InChI

InChI=1S/C9H12N2O3S/c10-3-1-2-5-7(12)11-6(9(13)14)4-15-8(5)11/h4-5,8H,1-3,10H2,(H,13,14)