[3-methoxy-4-(5-oxidanylidene-1,4-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl] methanesulfonate

Systemtic Name: [3-methoxy-4-(5-oxidanylidene-1,4-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl] methanesulfonate Openeye Name: [3-methoxy-4-(5-oxo-1,4-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-methoxy-4-(5-oxo-1,4-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl] ester IUPAC Name: [3-methoxy-4-(5-oxo-1,4-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(5-keto-1,4-dihydroimidazo[4,5-b]pyridin-2-yl)-3-methoxy-phenyl] ester Formula: C14H13N3O5S MolecularWeight: 335.33512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)OS(=O)(=O)C)C2=NC3=C(N2)C=CC(=O)N3

Isomeric SMILES

COC1=C(C=CC(=C1)OS(=O)(=O)C)C2=NC3=C(N2)C=CC(=O)N3

InChI

InChI=1S/C14H13N3O5S/c1-21-11-7-8(22-23(2,19)20)3-4-9(11)13-15-10-5-6-12(18)16-14(10)17-13/h3-7H,1-2H3,(H2,15,16,17,18)