ethyl 4-[butyl-[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanoyl]amino]benzoate

Systemtic Name: ethyl 4-[butyl-[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanoyl]amino]benzoate Openeye Name: ethyl 4-[butyl-[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[butyl-[2-(1H-imidazo[4,5-b]pyridin-2-ylthio)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[butyl-[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-[butyl-[2-(1H-imidazo[4,5-b]pyridin-2-ylthio)acetyl]amino]benzoic acid ethyl ester Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=C(C=C1)C(=O)OCC)C(=O)CSC2=NC3=C(N2)C=CC=N3

Isomeric SMILES

CCCCN(C1=CC=C(C=C1)C(=O)OCC)C(=O)CSC2=NC3=C(N2)C=CC=N3

InChI

InChI=1S/C21H24N4O3S/c1-3-5-13-25(16-10-8-15(9-11-16)20(27)28-4-2)18(26)14-29-21-23-17-7-6-12-22-19(17)24-21/h6-12H,3-5,13-14H2,1-2H3,(H,22,23,24)