7-(3-ethoxycarbonyl-2-methyl-imidazo[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-ethoxycarbonyl-2-methyl-imidazo[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-ethoxycarbonyl-2-methyl-imidazo[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-ethoxycarbonyl-2-methyl-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-ethoxycarbonyl-2-methylimidazo[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-carbethoxy-2-methyl-imidazo[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: C19H19N3O5S MolecularWeight: 401.43626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC=CC=[N+]21)C3(C4N(C3=O)C(=CCS4)C(=O)[O-])C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC=CC=[N+]21)C3(C4N(C3=O)C(=CCS4)C(=O)[O-])C)C

InChI

InChI=1S/C19H19N3O5S/c1-4-27-16(25)14-11(2)22(13-7-5-6-9-20(13)14)19(3)17(26)21-12(15(23)24)8-10-28-18(19)21/h5-9,18H,4,10H2,1-3H3