5-(phenylmethylsulfanyl)-7-(pyridin-3-ylmethylamino)thieno[3,2-b]pyridine-6-carboxylic acid

Systemtic Name: 5-(phenylmethylsulfanyl)-7-(pyridin-3-ylmethylamino)thieno[3,2-b]pyridine-6-carboxylic acid Openeye Name: 5-benzylsulfanyl-7-(3-pyridylmethylamino)thieno[3,2-b]pyridine-6-carboxylic acid CAS Name: 5-(phenylmethylthio)-7-(3-pyridinylmethylamino)-6-thieno[3,2-b]pyridinecarboxylic acid IUPAC Name: 5-benzylsulfanyl-7-(pyridin-3-ylmethylamino)thieno[3,2-b]pyridine-6-carboxylic acid Traditional Name: 5-(benzylthio)-7-(3-pyridylmethylamino)thieno[3,2-b]pyridine-6-carboxylic acid Formula: C21H17N3O2S2 MolecularWeight: 407.50858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=C(C(=C2C(=O)O)NCC4=CN=CC=C4)SC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=C(C(=C2C(=O)O)NCC4=CN=CC=C4)SC=C3

InChI

InChI=1S/C21H17N3O2S2/c25-21(26)17-18(23-12-15-7-4-9-22-11-15)19-16(8-10-27-19)24-20(17)28-13-14-5-2-1-3-6-14/h1-11H,12-13H2,(H,23,24)(H,25,26)