ethyl 6-imidazo[1,5-a]pyridin-5-yl-2-phenylsulfanyl-hexanoate

Systemtic Name: ethyl 6-imidazo[1,5-a]pyridin-5-yl-2-phenylsulfanyl-hexanoate Openeye Name: ethyl 6-imidazo[1,5-a]pyridin-5-yl-2-phenylsulfanyl-hexanoate CAS Name: 6-(5-imidazo[1,5-a]pyridinyl)-2-(phenylthio)hexanoic acid ethyl ester IUPAC Name: ethyl 6-imidazo[1,5-a]pyridin-5-yl-2-phenylsulfanylhexanoate Traditional Name: 6-imidazo[1,5-a]pyridin-5-yl-2-(phenylthio)hexanoic acid ethyl ester Formula: C21H24N2O2S MolecularWeight: 368.49246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCC1=CC=CC2=CN=CN21)SC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CCCCC1=CC=CC2=CN=CN21)SC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O2S/c1-2-25-21(24)20(26-19-12-4-3-5-13-19)14-7-6-9-17-10-8-11-18-15-22-16-23(17)18/h3-5,8,10-13,15-16,20H,2,6-7,9,14H2,1H3