methyl 4-[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[2-(1H-imidazo[4,5-b]pyridin-2-ylthio)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-[[2-(1H-imidazo[4,5-b]pyridin-2-ylthio)acetyl]amino]benzoic acid methyl ester Formula: C16H14N4O3S MolecularWeight: 342.37236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2)C=CC=N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2)C=CC=N3

InChI

InChI=1S/C16H14N4O3S/c1-23-15(22)10-4-6-11(7-5-10)18-13(21)9-24-16-19-12-3-2-8-17-14(12)20-16/h2-8H,9H2,1H3,(H,18,21)(H,17,19,20)