phenyl (5E)-7-methylsulfanyl-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-imidazo[1,2-a]pyridine-3-sulfonate

Systemtic Name: phenyl (5E)-7-methylsulfanyl-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-imidazo[1,2-a]pyridine-3-sulfonate Openeye Name: phenyl (5E)-7-methylsulfanyl-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-imidazo[1,2-a]pyridine-3-sulfonate CAS Name: (5E)-7-(methylthio)-5-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-imidazo[1,2-a]pyridine-3-sulfonic acid phenyl ester IUPAC Name: phenyl (5E)-7-methylsulfanyl-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-imidazo[1,2-a]pyridine-3-sulfonate Traditional Name: (5E)-5-(6-ketocyclohexa-2,4-dien-1-ylidene)-7-(methylthio)-1H-imidazo[1,2-a]pyridine-3-sulfonic acid phenyl ester Formula: C20H16N2O4S2 MolecularWeight: 412.48204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C2C=CC=CC2=O)N3C(=C1)NC=C3S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CSC1=C/C(=C\2/C=CC=CC2=O)/N3C(=C1)NC=C3S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C20H16N2O4S2/c1-27-15-11-17(16-9-5-6-10-18(16)23)22-19(12-15)21-13-20(22)28(24,25)26-14-7-3-2-4-8-14/h2-13,21H,1H3/b17-16+