6-(1-ethanimidoylpyrrolidin-3-yl)-7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-(1-ethanimidoylpyrrolidin-3-yl)-7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-ethanimidoylpyrrolidin-3-yl)-7-thioxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-[1-(1-iminoethyl)-3-pyrrolidinyl]-7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-ethanimidoylpyrrolidin-3-yl)-7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(1-acetimidoylpyrrolidin-3-yl)-7-thioxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C12H15N3O2S2 MolecularWeight: 297.3964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(C1)C2C3N(C2=S)C(=CS3)C(=O)O

Isomeric SMILES

CC(=N)N1CCC(C1)C2C3N(C2=S)C(=CS3)C(=O)O

InChI

InChI=1S/C12H15N3O2S2/c1-6(13)14-3-2-7(4-14)9-10(18)15-8(12(16)17)5-19-11(9)15/h5,7,9,11,13H,2-4H2,1H3,(H,16,17)