4-[[2-(pyridin-4-ylmethylcarbamoyl)thieno[2,3-b]pyridin-5-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-(pyridin-4-ylmethylcarbamoyl)thieno[2,3-b]pyridin-5-yl]methyl]benzoic acid Openeye Name: 4-[[2-(4-pyridylmethylcarbamoyl)thieno[2,3-b]pyridin-5-yl]methyl]benzoic acid CAS Name: 4-[[2-[oxo-(pyridin-4-ylmethylamino)methyl]-5-thieno[2,3-b]pyridinyl]methyl]benzoic acid IUPAC Name: 4-[[2-(pyridin-4-ylmethylcarbamoyl)thieno[2,3-b]pyridin-5-yl]methyl]benzoic acid Traditional Name: 4-[[2-(4-pyridylmethylcarbamoyl)thieno[2,3-b]pyridin-5-yl]methyl]benzoic acid Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CN=C3C(=C2)C=C(S3)C(=O)NCC4=CC=NC=C4)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC2=CN=C3C(=C2)C=C(S3)C(=O)NCC4=CC=NC=C4)C(=O)O

InChI

InChI=1S/C22H17N3O3S/c26-20(24-12-15-5-7-23-8-6-15)19-11-18-10-16(13-25-21(18)29-19)9-14-1-3-17(4-2-14)22(27)28/h1-8,10-11,13H,9,12H2,(H,24,26)(H,27,28)