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

Systemtic Name: 7-[(phenylmethyl)amino]-5-(phenylmethylsulfanyl)thieno[3,2-b]pyridine-6-carboxylic acid Openeye Name: 7-(benzylamino)-5-benzylsulfanyl-thieno[3,2-b]pyridine-6-carboxylic acid CAS Name: 7-[(phenylmethyl)amino]-5-(phenylmethylthio)-6-thieno[3,2-b]pyridinecarboxylic acid IUPAC Name: 7-(benzylamino)-5-benzylsulfanylthieno[3,2-b]pyridine-6-carboxylic acid Traditional Name: 7-(benzylamino)-5-(benzylthio)thieno[3,2-b]pyridine-6-carboxylic acid Formula: C22H18N2O2S2 MolecularWeight: 406.52052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=NC3=C2SC=C3)SCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=NC3=C2SC=C3)SCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H18N2O2S2/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/h1-12H,13-14H2,(H,23,24)(H,25,26)