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

Systemtic Name: 3-[[2-(methoxycarbonylamino)-1H-imidazo[4,5-b]pyridin-6-yl]sulfanyl]benzoic acid Openeye Name: 3-[[2-(methoxycarbonylamino)-1H-imidazo[4,5-b]pyridin-6-yl]sulfanyl]benzoic acid CAS Name: 3-[[2-(methoxycarbonylamino)-1H-imidazo[4,5-b]pyridin-6-yl]thio]benzoic acid IUPAC Name: 3-[[2-(methoxycarbonylamino)-1H-imidazo[4,5-b]pyridin-6-yl]sulfanyl]benzoic acid Traditional Name: 3-[[2-(carbomethoxyamino)-1H-imidazo[4,5-b]pyridin-6-yl]thio]benzoic acid Formula: C15H12N4O4S MolecularWeight: 344.34518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N4O4S/c1-23-15(22)19-14-17-11-6-10(7-16-12(11)18-14)24-9-4-2-3-8(5-9)13(20)21/h2-7H,1H3,(H,20,21)(H2,16,17,18,19,22)