methyl 4-[2-[(6-bromanyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(6-bromanyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C16H13BrN4O3S MolecularWeight: 421.26842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=NC=C(C=C3N2)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=NC=C(C=C3N2)Br

InChI

InChI=1S/C16H13BrN4O3S/c1-24-15(23)9-2-4-11(5-3-9)19-13(22)8-25-16-20-12-6-10(17)7-18-14(12)21-16/h2-7H,8H2,1H3,(H,19,22)(H,18,20,21)