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

Systemtic Name: 7-(cyclohexylmethylamino)-5-(phenylmethylsulfanyl)thieno[3,2-b]pyridine-6-carboxylic acid Openeye Name: 5-benzylsulfanyl-7-(cyclohexylmethylamino)thieno[3,2-b]pyridine-6-carboxylic acid CAS Name: 7-(cyclohexylmethylamino)-5-(phenylmethylthio)-6-thieno[3,2-b]pyridinecarboxylic acid IUPAC Name: 5-benzylsulfanyl-7-(cyclohexylmethylamino)thieno[3,2-b]pyridine-6-carboxylic acid Traditional Name: 5-(benzylthio)-7-(cyclohexylmethylamino)thieno[3,2-b]pyridine-6-carboxylic acid Formula: C22H24N2O2S2 MolecularWeight: 412.56816

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC2=C(C(=NC3=C2SC=C3)SCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CCC(CC1)CNC2=C(C(=NC3=C2SC=C3)SCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H24N2O2S2/c25-22(26)18-19(23-13-15-7-3-1-4-8-15)20-17(11-12-27-20)24-21(18)28-14-16-9-5-2-6-10-16/h2,5-6,9-12,15H,1,3-4,7-8,13-14H2,(H,23,24)(H,25,26)