7-(3-aminocarbonylimidazo[1,2-a]pyridin-4-ium-1-yl)-7-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-(3-aminocarbonylimidazo[1,2-a]pyridin-4-ium-1-yl)-7-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-(3-carbamoylimidazo[1,2-a]pyridin-4-ium-1-yl)-7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-(3-carbamoyl-1-imidazo[1,2-a]pyridin-4-iumyl)-7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-(3-carbamoylimidazo[1,2-a]pyridin-4-ium-1-yl)-7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-(3-carbamoylimidazo[1,2-a]pyridin-4-ium-1-yl)-8-keto-7-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C16H14N4O4S MolecularWeight: 358.37176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2N(C1=O)C(=CCS2)C(=O)[O-])N3C=C([N+]4=CC=CC=C34)C(=O)N

Isomeric SMILES

CC1(C2N(C1=O)C(=CCS2)C(=O)[O-])N3C=C([N+]4=CC=CC=C34)C(=O)N

InChI

InChI=1S/C16H14N4O4S/c1-16(14(24)20-9(13(22)23)5-7-25-15(16)20)19-8-10(12(17)21)18-6-3-2-4-11(18)19/h2-6,8,15H,7H2,1H3,(H2-,17,21,22,23)