methyl 4-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(3-ethyl-2-imidazo[4,5-b]pyridinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(3-ethylimidazo[4,5-b]pyridin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC=N2)N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN1C2=C(C=CC=N2)N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H18N4O3S/c1-3-22-16-14(5-4-10-19-16)21-18(22)26-11-15(23)20-13-8-6-12(7-9-13)17(24)25-2/h4-10H,3,11H2,1-2H3,(H,20,23)