2-(1-benzofuran-2-ylcarbonylamino)-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)thiophene-3-carboxylic acid

Systemtic Name: 2-(1-benzofuran-2-ylcarbonylamino)-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)thiophene-3-carboxylic acid Openeye Name: 2-(benzofuran-2-carbonylamino)-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)thiophene-3-carboxylic acid CAS Name: 2-[[2-benzofuranyl(oxo)methyl]amino]-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-thiophenecarboxylic acid IUPAC Name: 2-(1-benzofuran-2-carbonylamino)-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)thiophene-3-carboxylic acid Traditional Name: 2-(benzofuran-2-carbonylamino)-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-thenoic acid Formula: C21H13N3O4S MolecularWeight: 403.41062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C(=O)NC3=C(C(=CS3)C4=CN=C5C(=C4)C=CN5)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C(=O)NC3=C(C(=CS3)C4=CN=C5C(=C4)C=CN5)C(=O)O

InChI

InChI=1S/C21H13N3O4S/c25-19(16-8-11-3-1-2-4-15(11)28-16)24-20-17(21(26)27)14(10-29-20)13-7-12-5-6-22-18(12)23-9-13/h1-10H,(H,22,23)(H,24,25)(H,26,27)