ethyl 3-[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]benzoate CAS Name: 3-[[2-(1H-imidazo[4,5-b]pyridin-2-ylthio)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]benzoate Traditional Name: 3-[[2-(1H-imidazo[4,5-b]pyridin-2-ylthio)acetyl]amino]benzoic acid ethyl ester Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O3S/c1-2-24-16(23)11-5-3-6-12(9-11)19-14(22)10-25-17-20-13-7-4-8-18-15(13)21-17/h3-9H,2,10H2,1H3,(H,19,22)(H,18,20,21)