(phenylmethyl) 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanoate Openeye Name: benzyl 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate CAS Name: 2-[(3-methyl-2-imidazo[4,5-b]pyridinyl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-methylimidazo[4,5-b]pyridin-2-yl)thio]acetic acid benzyl ester Formula: C16H15N3O2S MolecularWeight: 313.3742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC=N2)N=C1SCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C=CC=N2)N=C1SCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C16H15N3O2S/c1-19-15-13(8-5-9-17-15)18-16(19)22-11-14(20)21-10-12-6-3-2-4-7-12/h2-9H,10-11H2,1H3