3-[[2-(ethoxycarbonylamino)-1H-imidazo[4,5-b]pyridin-6-yl]sulfanyl]benzoic acid

Systemtic Name: 3-[[2-(ethoxycarbonylamino)-1H-imidazo[4,5-b]pyridin-6-yl]sulfanyl]benzoic acid Openeye Name: 3-[[2-(ethoxycarbonylamino)-1H-imidazo[4,5-b]pyridin-6-yl]sulfanyl]benzoic acid CAS Name: 3-[[2-(ethoxycarbonylamino)-1H-imidazo[4,5-b]pyridin-6-yl]thio]benzoic acid IUPAC Name: 3-[[2-(ethoxycarbonylamino)-1H-imidazo[4,5-b]pyridin-6-yl]sulfanyl]benzoic acid Traditional Name: 3-[[2-(carbethoxyamino)-1H-imidazo[4,5-b]pyridin-6-yl]thio]benzoic acid Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=NC2=NC=C(C=C2N1)SC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCOC(=O)NC1=NC2=NC=C(C=C2N1)SC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C16H14N4O4S/c1-2-24-16(23)20-15-18-12-7-11(8-17-13(12)19-15)25-10-5-3-4-9(6-10)14(21)22/h3-8H,2H2,1H3,(H,21,22)(H2,17,18,19,20,23)