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

Systemtic Name: 7-(phenethylamino)-5-(phenylmethylsulfanyl)thieno[3,2-b]pyridine-6-carboxylic acid Openeye Name: 5-benzylsulfanyl-7-(phenethylamino)thieno[3,2-b]pyridine-6-carboxylic acid CAS Name: 7-(phenethylamino)-5-(phenylmethylthio)-6-thieno[3,2-b]pyridinecarboxylic acid IUPAC Name: 5-benzylsulfanyl-7-(phenethylamino)thieno[3,2-b]pyridine-6-carboxylic acid Traditional Name: 5-(benzylthio)-7-(phenethylamino)thieno[3,2-b]pyridine-6-carboxylic acid Formula: C23H20N2O2S2 MolecularWeight: 420.5471

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=C(C(=NC3=C2SC=C3)SCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=C(C(=NC3=C2SC=C3)SCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C23H20N2O2S2/c26-23(27)19-20(24-13-11-16-7-3-1-4-8-16)21-18(12-14-28-21)25-22(19)29-15-17-9-5-2-6-10-17/h1-10,12,14H,11,13,15H2,(H,24,25)(H,26,27)