ethyl 4-[2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanoylamino]benzoate Openeye Name: ethyl 4-[2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanoylamino]benzoate CAS Name: 4-[[2-(3H-imidazo[4,5-c]pyridin-2-ylthio)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanoylamino]benzoate Traditional Name: 4-[2-(3H-imidazo[4,5-c]pyridin-2-ylthio)butanoylamino]benzoic acid ethyl ester Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=NC3=C(N2)C=NC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=NC3=C(N2)C=NC=C3

InChI

InChI=1S/C19H20N4O3S/c1-3-16(27-19-22-14-9-10-20-11-15(14)23-19)17(24)21-13-7-5-12(6-8-13)18(25)26-4-2/h5-11,16H,3-4H2,1-2H3,(H,21,24)(H,22,23)